benzyl N-[4-[methyl(phenyl)sulfamoyl]phenyl]carbamate

C21H20N2O4S — CID 4935758

IUPACbenzyl N-[4-[methyl(phenyl)sulfamoyl]phenyl]carbamate
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C21H20N2O4S/c1-23(19-10-6-3-7-11-19)28(25,26)20-14-12-18(13-15-20)22-21(24)27-16-17-8-4-2-5-9-17/h2-15H,16H2,1H3,(H,22,24)
InChIKeyMSNWESCITKVYEM-UHFFFAOYSA-N
MW396.47 g/mol
LogP4.26
Rot. Bonds6

About benzyl N-[4-[methyl(phenyl)sulfamoyl]phenyl]carbamate

benzyl N-[4-[methyl(phenyl)sulfamoyl]phenyl]carbamate (PubChem CID 4935758) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is benzyl N-[4-[methyl(phenyl)sulfamoyl]phenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-[methyl(phenyl)sulfamoyl]phenyl]carbamate
PubChem CID4935758
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC Namebenzyl N-[4-[methyl(phenyl)sulfamoyl]phenyl]carbamate
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C21H20N2O4S/c1-23(19-10-6-3-7-11-19)28(25,26)20-14-12-18(13-15-20)22-21(24)27-16-17-8-4-2-5-9-17/h2-15H,16H2,1H3,(H,22,24)
InChIKeyMSNWESCITKVYEM-UHFFFAOYSA-N
XLogP4.26
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[4-[methyl(phenyl)sulfamoyl]anilino]-3-oxopropanoate
CID 17097503
benzyl N-(4-acetylphenyl)carbamate
CID 2994007
4-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1226832
N-(4-acetylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2597397
2-[4-[[2-[4-[benzenesulfonyl(methyl)amino]phenyl]acetyl]amino]phenyl]acetamide
CID 100787401
2-methoxy-N-[4-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1226771
N-[4-[methyl(phenyl)sulfamoyl]phenyl]octanamide
CID 4958602
2-[4-[methyl(phenyl)sulfamoyl]phenyl]acetic acid
CID 43440325
benzyl N-[4-(chlorooxymethyl)phenyl]carbamate
CID 70641351
N-(4-iodophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2710071
2-(4-ethylphenoxy)-N-[4-[methyl(phenyl)sulfamoyl]phenyl]propanamide
CID 4953352
pyridin-3-ylmethyl 4-[methyl(phenyl)sulfamoyl]benzoate
CID 18083751

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-[methyl(phenyl)sulfamoyl]phenyl]carbamate?
The IUPAC name of benzyl N-[4-[methyl(phenyl)sulfamoyl]phenyl]carbamate (CID 4935758) is benzyl N-[4-[methyl(phenyl)sulfamoyl]phenyl]carbamate.
What is the SMILES notation for benzyl N-[4-[methyl(phenyl)sulfamoyl]phenyl]carbamate?
The canonical SMILES for benzyl N-[4-[methyl(phenyl)sulfamoyl]phenyl]carbamate is CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl N-[4-[methyl(phenyl)sulfamoyl]phenyl]carbamate?
The InChIKey is MSNWESCITKVYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c1-23(19-10-6-3-7-11-19)28(25,26)20-14-12-18(13-15-20)22-21(24)27-16-17-8-4-2-5-9-17/h2-15H,16H2,1H3,(H,22,24).
What are the key properties of benzyl N-[4-[methyl(phenyl)sulfamoyl]phenyl]carbamate?
benzyl N-[4-[methyl(phenyl)sulfamoyl]phenyl]carbamate has a molecular weight of 396.47 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-[methyl(phenyl)sulfamoyl]phenyl]carbamate is sourced from PubChem (CID 4935758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).