N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-bromobenzamide

C21H19BrN2O3S — CID 1014272

IUPACN-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-bromobenzamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C21H19BrN2O3S/c1-24(15-16-7-3-2-4-8-16)28(26,27)18-13-11-17(12-14-18)23-21(25)19-9-5-6-10-20(19)22/h2-14H,15H2,1H3,(H,23,25)
InChIKeyNHYMIWUNHAOEAX-UHFFFAOYSA-N
MW459.37 g/mol
LogP4.52
Rot. Bonds6

About N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-bromobenzamide

N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-bromobenzamide (PubChem CID 1014272) has the molecular formula C21H19BrN2O3S and a molecular weight of 459.37 g/mol. Its IUPAC name is N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-bromobenzamide.

Molecular Properties

Compound NameN-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-bromobenzamide
PubChem CID1014272
Molecular FormulaC21H19BrN2O3S
Molecular Weight459.37 g/mol
Exact Mass458.03
IUPAC NameN-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-bromobenzamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C21H19BrN2O3S/c1-24(15-16-7-3-2-4-8-16)28(26,27)18-13-11-17(12-14-18)23-21(25)19-9-5-6-10-20(19)22/h2-14H,15H2,1H3,(H,23,25)
InChIKeyNHYMIWUNHAOEAX-UHFFFAOYSA-N
XLogP4.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.37
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,5-dimethylbenzamide
CID 26899300
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,5-dichlorobenzamide
CID 26899296
2-bromo-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 1303320
2-(2-amino-2-oxoethoxy)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]benzamide
CID 24524423
2-bromo-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1015438
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,2-diphenylacetamide
CID 1014294
2-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]acetamide
CID 3936175
5-[benzyl(methyl)sulfamoyl]-N-(4-ethylphenyl)-2-fluorobenzamide
CID 4068448
4-[benzyl(methyl)sulfamoyl]-N-(3,5-dichlorophenyl)benzamide
CID 23825383
3-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]propanamide
CID 17310164
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 17014036
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide
CID 1304567

Frequently Asked Questions

What is the IUPAC name of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-bromobenzamide?
The IUPAC name of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-bromobenzamide (CID 1014272) is N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-bromobenzamide.
What is the SMILES notation for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-bromobenzamide?
The canonical SMILES for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-bromobenzamide is CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2ccccc2Br)cc1.
What is the InChIKey of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-bromobenzamide?
The InChIKey is NHYMIWUNHAOEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN2O3S/c1-24(15-16-7-3-2-4-8-16)28(26,27)18-13-11-17(12-14-18)23-21(25)19-9-5-6-10-20(19)22/h2-14H,15H2,1H3,(H,23,25).
What are the key properties of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-bromobenzamide?
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-bromobenzamide has a molecular weight of 459.37 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-bromobenzamide is sourced from PubChem (CID 1014272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).