benzyl N-[(3-cyanophenyl)sulfamoyl]carbamate

C15H13N3O4S — CID 69114384

IUPACbenzyl N-[(3-cyanophenyl)sulfamoyl]carbamate
SMILESN#Cc1cccc(NS(=O)(=O)NC(=O)OCc2ccccc2)c1
InChIInChI=1S/C15H13N3O4S/c16-10-13-7-4-8-14(9-13)17-23(20,21)18-15(19)22-11-12-5-2-1-3-6-12/h1-9,17H,11H2,(H,18,19)
InChIKeyMEWAXTNKGOQPOT-UHFFFAOYSA-N
MW331.35 g/mol
LogP2.14
Rot. Bonds5

About benzyl N-[(3-cyanophenyl)sulfamoyl]carbamate

benzyl N-[(3-cyanophenyl)sulfamoyl]carbamate (PubChem CID 69114384) has the molecular formula C15H13N3O4S and a molecular weight of 331.35 g/mol. Its IUPAC name is benzyl N-[(3-cyanophenyl)sulfamoyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(3-cyanophenyl)sulfamoyl]carbamate
PubChem CID69114384
Molecular FormulaC15H13N3O4S
Molecular Weight331.35 g/mol
Exact Mass331.06
IUPAC Namebenzyl N-[(3-cyanophenyl)sulfamoyl]carbamate
SMILESN#Cc1cccc(NS(=O)(=O)NC(=O)OCc2ccccc2)c1
InChIInChI=1S/C15H13N3O4S/c16-10-13-7-4-8-14(9-13)17-23(20,21)18-15(19)22-11-12-5-2-1-3-6-12/h1-9,17H,11H2,(H,18,19)
InChIKeyMEWAXTNKGOQPOT-UHFFFAOYSA-N
XLogP2.14
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[1-(3-cyanoanilino)-3-methyl-1-oxobutan-2-yl]carbamate
CID 78769011
benzyl N-(4-cyanophenyl)carbamate
CID 4935649
benzyl N-[(6-chloro-5-methyl-3-pyridinyl)sulfamoyl]carbamate
CID 167857534
[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
CID 7533554
N-(3-cyanophenyl)-2-phenylacetamide
CID 729975
methyl N-[(3-cyanophenyl)methylsulfamoyl]carbamate
CID 113344019
N-(3-cyanophenyl)-2-phenylmethoxypropanamide
CID 43187553
2-chloroethyl N-(phenylsulfamoyl)carbamate
CID 2765590
(4-cyanophenyl)methyl 3-(methanesulfonamido)benzoate
CID 2448191
benzyl 3-[(3-cyanophenyl)carbamoyl]piperidine-1-carboxylate
CID 110678535
N-(3-cyanophenyl)-2-hydroxyethanesulfonamide
CID 79026439
benzyl N-(butan-2-ylsulfamoyl)carbamate
CID 176960952

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3-cyanophenyl)sulfamoyl]carbamate?
The IUPAC name of benzyl N-[(3-cyanophenyl)sulfamoyl]carbamate (CID 69114384) is benzyl N-[(3-cyanophenyl)sulfamoyl]carbamate.
What is the SMILES notation for benzyl N-[(3-cyanophenyl)sulfamoyl]carbamate?
The canonical SMILES for benzyl N-[(3-cyanophenyl)sulfamoyl]carbamate is N#Cc1cccc(NS(=O)(=O)NC(=O)OCc2ccccc2)c1.
What is the InChIKey of benzyl N-[(3-cyanophenyl)sulfamoyl]carbamate?
The InChIKey is MEWAXTNKGOQPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4S/c16-10-13-7-4-8-14(9-13)17-23(20,21)18-15(19)22-11-12-5-2-1-3-6-12/h1-9,17H,11H2,(H,18,19).
What are the key properties of benzyl N-[(3-cyanophenyl)sulfamoyl]carbamate?
benzyl N-[(3-cyanophenyl)sulfamoyl]carbamate has a molecular weight of 331.35 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3-cyanophenyl)sulfamoyl]carbamate is sourced from PubChem (CID 69114384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).