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

C21H18BrClN2O3S — CID 3355768

IUPACN-(4-bromophenyl)-4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Br)cc3)ccc2Cl)c(C)c1
InChIInChI=1S/C21H18BrClN2O3S/c1-13-3-10-19(14(2)11-13)25-29(27,28)20-12-15(4-9-18(20)23)21(26)24-17-7-5-16(22)6-8-17/h3-12,25H,1-2H3,(H,24,26)
InChIKeyOHXYYYMTZQTPHB-UHFFFAOYSA-N
MW493.81 g/mol
LogP5.77
Rot. Bonds5

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

N-(4-bromophenyl)-4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide (PubChem CID 3355768) has the molecular formula C21H18BrClN2O3S and a molecular weight of 493.81 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
PubChem CID3355768
Molecular FormulaC21H18BrClN2O3S
Molecular Weight493.81 g/mol
Exact Mass491.99
IUPAC NameN-(4-bromophenyl)-4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Br)cc3)ccc2Cl)c(C)c1
InChIInChI=1S/C21H18BrClN2O3S/c1-13-3-10-19(14(2)11-13)25-29(27,28)20-12-15(4-9-18(20)23)21(26)24-17-7-5-16(22)6-8-17/h3-12,25H,1-2H3,(H,24,26)
InChIKeyOHXYYYMTZQTPHB-UHFFFAOYSA-N
XLogP5.77
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.81
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dichlorophenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126415286
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-methylbenzamide
CID 3680171
5-bromo-2-chloro-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 100536288
4-chloro-N-(2,4-dimethylphenyl)-3-(phenylsulfamoyl)benzamide
CID 4655092
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-chloro-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 3483233
N-(3,5-dimethylphenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 3891119
3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 126388649
4-chloro-N-(3-methylphenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 4046422
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2-methylsulfanylphenyl)benzamide
CID 2226910
methyl 3-[[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzoyl]amino]-4-methylbenzoate
CID 2304391
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 2980254
4-chloro-N-(3,5-dimethylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 5006992

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(4-bromophenyl)-4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide (CID 3355768) is N-(4-bromophenyl)-4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(4-bromophenyl)-4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(4-bromophenyl)-4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide is Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Br)cc3)ccc2Cl)c(C)c1.
What is the InChIKey of N-(4-bromophenyl)-4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide?
The InChIKey is OHXYYYMTZQTPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrClN2O3S/c1-13-3-10-19(14(2)11-13)25-29(27,28)20-12-15(4-9-18(20)23)21(26)24-17-7-5-16(22)6-8-17/h3-12,25H,1-2H3,(H,24,26).
What are the key properties of N-(4-bromophenyl)-4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide?
N-(4-bromophenyl)-4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide has a molecular weight of 493.81 g/mol, XLogP of 5.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 3355768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).