3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-[(2R)-pentan-2-yl]benzamide

C19H23BrN2O3S — CID 27232311

IUPAC3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-[(2R)-pentan-2-yl]benzamide
SMILESCCC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)Nc2cc(C)ccc2Br)c1
InChIInChI=1S/C19H23BrN2O3S/c1-4-6-14(3)21-19(23)15-7-5-8-16(12-15)26(24,25)22-18-11-13(2)9-10-17(18)20/h5,7-12,14,22H,4,6H2,1-3H3,(H,21,23)/t14-/m1/s1
InChIKeyATUCXNHMXNUUOF-CQSZACIVSA-N
MW439.38 g/mol
LogP4.48
Rot. Bonds7

About 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-[(2R)-pentan-2-yl]benzamide

3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-[(2R)-pentan-2-yl]benzamide (PubChem CID 27232311) has the molecular formula C19H23BrN2O3S and a molecular weight of 439.38 g/mol. Its IUPAC name is 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-[(2R)-pentan-2-yl]benzamide.

Molecular Properties

Compound Name3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-[(2R)-pentan-2-yl]benzamide
PubChem CID27232311
Molecular FormulaC19H23BrN2O3S
Molecular Weight439.38 g/mol
Exact Mass438.06
IUPAC Name3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-[(2R)-pentan-2-yl]benzamide
SMILESCCC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)Nc2cc(C)ccc2Br)c1
InChIInChI=1S/C19H23BrN2O3S/c1-4-6-14(3)21-19(23)15-7-5-8-16(12-15)26(24,25)22-18-11-13(2)9-10-17(18)20/h5,7-12,14,22H,4,6H2,1-3H3,(H,21,23)/t14-/m1/s1
InChIKeyATUCXNHMXNUUOF-CQSZACIVSA-N
XLogP4.48
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.38
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26498995
3-[(4-methylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
CID 132654290
3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 26500853
3-[(4-methylphenyl)sulfonylamino]-N-pentan-2-ylbenzamide
CID 19062395
3-[[3-[(2-bromo-5-methylphenyl)sulfamoyl]benzoyl]amino]benzamide
CID 46635900
N-butan-2-yl-3-[(2,4,6-trimethylphenyl)sulfamoyl]benzamide
CID 109063065
3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(1-propylpiperidin-4-yl)benzamide
CID 55386926
3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 60519873
N-(2-bromo-4-methylphenyl)-3-propanoylbenzenesulfonamide
CID 112838604
N-(2-bromo-5-methylphenyl)-3-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 24536114
3-[(2-bromo-5-methylphenyl)sulfamoyl]-N,N-bis(2-methoxyethyl)benzamide
CID 43007132
N-butan-2-yl-3-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 109063059

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-[(2R)-pentan-2-yl]benzamide?
The IUPAC name of 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-[(2R)-pentan-2-yl]benzamide (CID 27232311) is 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-[(2R)-pentan-2-yl]benzamide.
What is the SMILES notation for 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-[(2R)-pentan-2-yl]benzamide?
The canonical SMILES for 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-[(2R)-pentan-2-yl]benzamide is CCC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)Nc2cc(C)ccc2Br)c1.
What is the InChIKey of 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-[(2R)-pentan-2-yl]benzamide?
The InChIKey is ATUCXNHMXNUUOF-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23BrN2O3S/c1-4-6-14(3)21-19(23)15-7-5-8-16(12-15)26(24,25)22-18-11-13(2)9-10-17(18)20/h5,7-12,14,22H,4,6H2,1-3H3,(H,21,23)/t14-/m1/s1.
What are the key properties of 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-[(2R)-pentan-2-yl]benzamide?
3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-[(2R)-pentan-2-yl]benzamide has a molecular weight of 439.38 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-[(2R)-pentan-2-yl]benzamide is sourced from PubChem (CID 27232311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).