2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)benzamide

C21H19BrN2O3S — CID 2334087

IUPAC2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Br)cc2)c1C
InChIInChI=1S/C21H19BrN2O3S/c1-14-6-5-9-19(15(14)2)23-21(25)18-7-3-4-8-20(18)24-28(26,27)17-12-10-16(22)11-13-17/h3-13,24H,1-2H3,(H,23,25)
InChIKeyRGRBYPDFWDJDIY-UHFFFAOYSA-N
MW459.37 g/mol
LogP5.12
Rot. Bonds5

About 2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)benzamide

2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)benzamide (PubChem CID 2334087) has the molecular formula C21H19BrN2O3S and a molecular weight of 459.37 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)benzamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)benzamide
PubChem CID2334087
Molecular FormulaC21H19BrN2O3S
Molecular Weight459.37 g/mol
Exact Mass458.03
IUPAC Name2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Br)cc2)c1C
InChIInChI=1S/C21H19BrN2O3S/c1-14-6-5-9-19(15(14)2)23-21(25)18-7-3-4-8-20(18)24-28(26,27)17-12-10-16(22)11-13-17/h3-13,24H,1-2H3,(H,23,25)
InChIKeyRGRBYPDFWDJDIY-UHFFFAOYSA-N
XLogP5.12
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.37
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromophenyl)sulfonylamino]-N-phenylbenzamide
CID 2332035
methyl 2-methyl-3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoate
CID 2980517
N-(3-acetyl-2-methylphenyl)-4-bromobenzenesulfonamide
CID 91114116
3-[(4-bromophenyl)sulfonylamino]-2-methylbenzamide
CID 39846088
N-[2-[(4-bromophenyl)sulfonylamino]phenyl]acetamide
CID 113093694
2-bromo-N-(2,3-dimethylphenyl)-3-methylbenzamide
CID 103852657
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)propanamide
CID 41330822
2-(benzenesulfonamido)-N-(4-bromo-2-fluorophenyl)benzamide
CID 4223375
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)propanamide
CID 41330824
2-[(4-bromophenyl)sulfonylamino]-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 2336813
3-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)benzamide
CID 26538067
N-(4-bromophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 2332106

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)benzamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)benzamide (CID 2334087) is 2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)benzamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)benzamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)benzamide is Cc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Br)cc2)c1C.
What is the InChIKey of 2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)benzamide?
The InChIKey is RGRBYPDFWDJDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN2O3S/c1-14-6-5-9-19(15(14)2)23-21(25)18-7-3-4-8-20(18)24-28(26,27)17-12-10-16(22)11-13-17/h3-13,24H,1-2H3,(H,23,25).
What are the key properties of 2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)benzamide?
2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)benzamide has a molecular weight of 459.37 g/mol, XLogP of 5.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)benzamide is sourced from PubChem (CID 2334087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).