[(Z)-3-phenylprop-2-enyl] N-(4-methylphenyl)sulfonylcarbamate

C17H17NO4S — CID 102353447

IUPAC[(Z)-3-phenylprop-2-enyl] N-(4-methylphenyl)sulfonylcarbamate
SMILESCc1ccc(S(=O)(=O)NC(=O)OC/C=C\c2ccccc2)cc1
InChIInChI=1S/C17H17NO4S/c1-14-9-11-16(12-10-14)23(20,21)18-17(19)22-13-5-8-15-6-3-2-4-7-15/h2-12H,13H2,1H3,(H,18,19)/b8-5-
InChIKeyKDBVGWUXTLBWSQ-YVMONPNESA-N
MW331.39 g/mol
LogP3.12
Rot. Bonds5

About [(Z)-3-phenylprop-2-enyl] N-(4-methylphenyl)sulfonylcarbamate

[(Z)-3-phenylprop-2-enyl] N-(4-methylphenyl)sulfonylcarbamate (PubChem CID 102353447) has the molecular formula C17H17NO4S and a molecular weight of 331.39 g/mol. Its IUPAC name is [(Z)-3-phenylprop-2-enyl] N-(4-methylphenyl)sulfonylcarbamate.

Molecular Properties

Compound Name[(Z)-3-phenylprop-2-enyl] N-(4-methylphenyl)sulfonylcarbamate
PubChem CID102353447
Molecular FormulaC17H17NO4S
Molecular Weight331.39 g/mol
Exact Mass331.09
IUPAC Name[(Z)-3-phenylprop-2-enyl] N-(4-methylphenyl)sulfonylcarbamate
SMILESCc1ccc(S(=O)(=O)NC(=O)OC/C=C\c2ccccc2)cc1
InChIInChI=1S/C17H17NO4S/c1-14-9-11-16(12-10-14)23(20,21)18-17(19)22-13-5-8-15-6-3-2-4-7-15/h2-12H,13H2,1H3,(H,18,19)/b8-5-
InChIKeyKDBVGWUXTLBWSQ-YVMONPNESA-N
XLogP3.12
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(Z)-4-methyl-4-[(4-methylphenyl)sulfonylcarbamoyloxy]pent-2-enyl] N-(4-methylphenyl)sulfonylcarbamate
CID 101177082
(4-methylphenyl)-oxo-(3-phenylprop-2-enoxy)-sulfanylidene-λ6-sulfane
CID 54209699
N-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135051885
[(E)-3-phenylprop-2-enyl] N-(2-chloro-4-methylphenyl)carbamate
CID 6115688
methyl (E)-2-[(4-methylphenyl)sulfonylamino]-2,5-diphenylpent-4-enoate
CID 101398756
2-cyanoethyl N-(4-methylphenyl)sulfonylcarbamate
CID 101122672
[(E)-3-phenylprop-2-enyl] N-(4-methyl-2-nitrophenyl)carbamate
CID 6185348
[(2R,3R)-4,4-difluoro-2-[(4-methylphenyl)sulfonylcarbamoyloxymethyl]-5-oxooxolan-3-yl] (E)-3-phenylprop-2-enoate
CID 25179246
[(Z)-4-[(4-fluorophenyl)sulfonylcarbamoyloxy]but-2-enyl] acetate
CID 102021540
sulfamoyl N-(4-methylphenyl)sulfonylcarbamate
CID 10017321
lithium;hydride;N-(4-methylphenyl)sulfonylbenzamide
CID 173095463
methane;[(E)-3-phenylprop-2-enyl] acetate
CID 161124319

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-phenylprop-2-enyl] N-(4-methylphenyl)sulfonylcarbamate?
The IUPAC name of [(Z)-3-phenylprop-2-enyl] N-(4-methylphenyl)sulfonylcarbamate (CID 102353447) is [(Z)-3-phenylprop-2-enyl] N-(4-methylphenyl)sulfonylcarbamate.
What is the SMILES notation for [(Z)-3-phenylprop-2-enyl] N-(4-methylphenyl)sulfonylcarbamate?
The canonical SMILES for [(Z)-3-phenylprop-2-enyl] N-(4-methylphenyl)sulfonylcarbamate is Cc1ccc(S(=O)(=O)NC(=O)OC/C=C\c2ccccc2)cc1.
What is the InChIKey of [(Z)-3-phenylprop-2-enyl] N-(4-methylphenyl)sulfonylcarbamate?
The InChIKey is KDBVGWUXTLBWSQ-YVMONPNESA-N. The full InChI is InChI=1S/C17H17NO4S/c1-14-9-11-16(12-10-14)23(20,21)18-17(19)22-13-5-8-15-6-3-2-4-7-15/h2-12H,13H2,1H3,(H,18,19)/b8-5-.
What are the key properties of [(Z)-3-phenylprop-2-enyl] N-(4-methylphenyl)sulfonylcarbamate?
[(Z)-3-phenylprop-2-enyl] N-(4-methylphenyl)sulfonylcarbamate has a molecular weight of 331.39 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-phenylprop-2-enyl] N-(4-methylphenyl)sulfonylcarbamate is sourced from PubChem (CID 102353447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).