N-(2-bromophenyl)-2-chloro-5-[(4-methylphenyl)sulfonylamino]benzamide

C20H16BrClN2O3S — CID 28572809

IUPACN-(2-bromophenyl)-2-chloro-5-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3Br)c2)cc1
InChIInChI=1S/C20H16BrClN2O3S/c1-13-6-9-15(10-7-13)28(26,27)24-14-8-11-18(22)16(12-14)20(25)23-19-5-3-2-4-17(19)21/h2-12,24H,1H3,(H,23,25)
InChIKeyWTPGNBJFSYQEKQ-UHFFFAOYSA-N
MW479.78 g/mol
LogP5.46
Rot. Bonds5

About N-(2-bromophenyl)-2-chloro-5-[(4-methylphenyl)sulfonylamino]benzamide

N-(2-bromophenyl)-2-chloro-5-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 28572809) has the molecular formula C20H16BrClN2O3S and a molecular weight of 479.78 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-chloro-5-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-chloro-5-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID28572809
Molecular FormulaC20H16BrClN2O3S
Molecular Weight479.78 g/mol
Exact Mass477.98
IUPAC NameN-(2-bromophenyl)-2-chloro-5-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3Br)c2)cc1
InChIInChI=1S/C20H16BrClN2O3S/c1-13-6-9-15(10-7-13)28(26,27)24-14-8-11-18(22)16(12-14)20(25)23-19-5-3-2-4-17(19)21/h2-12,24H,1H3,(H,23,25)
InChIKeyWTPGNBJFSYQEKQ-UHFFFAOYSA-N
XLogP5.46
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.78
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzamide
CID 92683065
2-chloro-N-(3,4-dichlorophenyl)-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 46778231
5-(benzenesulfonamido)-2-chloro-N-(3,5-dimethylphenyl)benzamide
CID 28575633
2-[[2-chloro-5-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 1356310
2-chloro-N-(2-fluorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43910411
ethyl 3-[[2-chloro-5-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-2-methylbenzoate
CID 92685301
5-(benzenesulfonamido)-2-chloro-N-(3-methylphenyl)benzamide
CID 99954577
2-chloro-N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 43909818
5-(benzenesulfonamido)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-chlorobenzamide
CID 46778728
2-chloro-N-[(4-methylphenyl)-phenylmethyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 43916637
methyl 4-[[2-chloro-5-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoate
CID 92681606
4-(benzenesulfonamido)-2-chloro-N-(4-methylphenyl)benzamide
CID 43910172

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-chloro-5-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-(2-bromophenyl)-2-chloro-5-[(4-methylphenyl)sulfonylamino]benzamide (CID 28572809) is N-(2-bromophenyl)-2-chloro-5-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(2-bromophenyl)-2-chloro-5-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(2-bromophenyl)-2-chloro-5-[(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3Br)c2)cc1.
What is the InChIKey of N-(2-bromophenyl)-2-chloro-5-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is WTPGNBJFSYQEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrClN2O3S/c1-13-6-9-15(10-7-13)28(26,27)24-14-8-11-18(22)16(12-14)20(25)23-19-5-3-2-4-17(19)21/h2-12,24H,1H3,(H,23,25).
What are the key properties of N-(2-bromophenyl)-2-chloro-5-[(4-methylphenyl)sulfonylamino]benzamide?
N-(2-bromophenyl)-2-chloro-5-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 479.78 g/mol, XLogP of 5.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-chloro-5-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 28572809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).