N-(benzenesulfonyl)-2-bromo-N-(4-methylphenyl)benzamide

C20H16BrNO3S — CID 19210740

IUPACN-(benzenesulfonyl)-2-bromo-N-(4-methylphenyl)benzamide
SMILESCc1ccc(N(C(=O)c2ccccc2Br)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H16BrNO3S/c1-15-11-13-16(14-12-15)22(20(23)18-9-5-6-10-19(18)21)26(24,25)17-7-3-2-4-8-17/h2-14H,1H3
InChIKeyQAADSIWQXRGVNY-UHFFFAOYSA-N
MW430.32 g/mol
LogP4.79
Rot. Bonds4

About N-(benzenesulfonyl)-2-bromo-N-(4-methylphenyl)benzamide

N-(benzenesulfonyl)-2-bromo-N-(4-methylphenyl)benzamide (PubChem CID 19210740) has the molecular formula C20H16BrNO3S and a molecular weight of 430.32 g/mol. Its IUPAC name is N-(benzenesulfonyl)-2-bromo-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-2-bromo-N-(4-methylphenyl)benzamide
PubChem CID19210740
Molecular FormulaC20H16BrNO3S
Molecular Weight430.32 g/mol
Exact Mass429.00
IUPAC NameN-(benzenesulfonyl)-2-bromo-N-(4-methylphenyl)benzamide
SMILESCc1ccc(N(C(=O)c2ccccc2Br)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H16BrNO3S/c1-15-11-13-16(14-12-15)22(20(23)18-9-5-6-10-19(18)21)26(24,25)17-7-3-2-4-8-17/h2-14H,1H3
InChIKeyQAADSIWQXRGVNY-UHFFFAOYSA-N
XLogP4.79
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.32
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(benzenesulfonyl)-N-(4-methylphenyl)-2-(2-phenylethyl)benzamide
CID 19210199
2-methoxy-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylbenzamide
CID 1322535
N-(benzenesulfonyl)-2-bromo-N-(2,3-dimethylphenyl)benzamide
CID 19210750
N-(benzenesulfonyl)-2-bromo-3,4,5-trimethoxy-N-(4-methylphenyl)benzamide
CID 19211300
N-(benzenesulfonyl)-2-methoxy-N-(4-methoxyphenyl)benzamide
CID 19204610
N-(benzenesulfonyl)-N-(4-methylphenyl)-3,5-dinitrobenzamide
CID 19210790
N-(4-ethylphenyl)-2-methoxy-N-(4-methylphenyl)sulfonylbenzamide
CID 19210849
N-(4-butylphenyl)-2-methyl-N-(4-methylphenyl)sulfonylbenzamide
CID 19210939
N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonyl-2-(2-phenylethyl)benzamide
CID 19210204
N-(4-butylphenyl)-2-chloro-N-(4-methylphenyl)sulfonylbenzamide
CID 19210695
N-(4-ethoxyphenyl)-2-iodo-N-(4-methylphenyl)sulfonylbenzamide
CID 19219342
N-(benzenesulfonyl)-N-(4-ethoxyphenyl)-2-methoxybenzamide
CID 19210850

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-2-bromo-N-(4-methylphenyl)benzamide?
The IUPAC name of N-(benzenesulfonyl)-2-bromo-N-(4-methylphenyl)benzamide (CID 19210740) is N-(benzenesulfonyl)-2-bromo-N-(4-methylphenyl)benzamide.
What is the SMILES notation for N-(benzenesulfonyl)-2-bromo-N-(4-methylphenyl)benzamide?
The canonical SMILES for N-(benzenesulfonyl)-2-bromo-N-(4-methylphenyl)benzamide is Cc1ccc(N(C(=O)c2ccccc2Br)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-(benzenesulfonyl)-2-bromo-N-(4-methylphenyl)benzamide?
The InChIKey is QAADSIWQXRGVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrNO3S/c1-15-11-13-16(14-12-15)22(20(23)18-9-5-6-10-19(18)21)26(24,25)17-7-3-2-4-8-17/h2-14H,1H3.
What are the key properties of N-(benzenesulfonyl)-2-bromo-N-(4-methylphenyl)benzamide?
N-(benzenesulfonyl)-2-bromo-N-(4-methylphenyl)benzamide has a molecular weight of 430.32 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-2-bromo-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 19210740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).