[4-[(E)-3-phenylprop-2-enoyl]phenyl]sulfamate

CovInDB Inhibitor

CI002220

Name

[4-[(E)-3-phenylprop-2-enoyl]phenyl]sulfamate

Molecular Formula

C₁₅H₁₃NO₄S

Molecular Weight

303.06 g/mol

Structure

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SDF 2D SDF 3D

IUPAC Name

[4-[(E)-3-phenylprop-2-enoyl]phenyl]sulfamate

InChI

InChI=1S/C15H13NO4S/c16-21(18,19)20-14-9-7-13(8-10-14)15(17)11-6-12-4-2-1-3-5-12/h1-11H,(H2,16,18,19)/b11-6+

InChI Key

OHRKDOLDPKANJQ-IZZDOVSWSA-N

Canonical SMILES

NS(=O)(=O)Oc1ccc(C(=O)/C=C/c2ccccc2)cc1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

303.06 g/mol

Computed by RDKit

logP

3

Computed by ALOGPS

logS

-4.49

Computed by ALOGPS

Heavy Atom Count

21

Computed by RDKit

Ring Count

2

Computed by RDKit

Hydrogen Bond Acceptor Count

4

Computed by RDKit

Hydrogen Bond Donor Count

1

Computed by RDKit

Rotatable Bond Count

5

Computed by RDKit

Topological Polar Surface Area

86.46 Ų

Computed by RDKit

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No similar natural compounds found for this inhibitor.