N-(benzenesulfonyl)-4-bromo-N-(4-ethylphenyl)benzamide

C21H18BrNO3S — CID 19210712

IUPACN-(benzenesulfonyl)-4-bromo-N-(4-ethylphenyl)benzamide
SMILESCCc1ccc(N(C(=O)c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C21H18BrNO3S/c1-2-16-8-14-19(15-9-16)23(21(24)17-10-12-18(22)13-11-17)27(25,26)20-6-4-3-5-7-20/h3-15H,2H2,1H3
InChIKeyUEYCSYGRUYJLAB-UHFFFAOYSA-N
MW444.35 g/mol
LogP5.05
Rot. Bonds5

About N-(benzenesulfonyl)-4-bromo-N-(4-ethylphenyl)benzamide

N-(benzenesulfonyl)-4-bromo-N-(4-ethylphenyl)benzamide (PubChem CID 19210712) has the molecular formula C21H18BrNO3S and a molecular weight of 444.35 g/mol. Its IUPAC name is N-(benzenesulfonyl)-4-bromo-N-(4-ethylphenyl)benzamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-4-bromo-N-(4-ethylphenyl)benzamide
PubChem CID19210712
Molecular FormulaC21H18BrNO3S
Molecular Weight444.35 g/mol
Exact Mass443.02
IUPAC NameN-(benzenesulfonyl)-4-bromo-N-(4-ethylphenyl)benzamide
SMILESCCc1ccc(N(C(=O)c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C21H18BrNO3S/c1-2-16-8-14-19(15-9-16)23(21(24)17-10-12-18(22)13-11-17)27(25,26)20-6-4-3-5-7-20/h3-15H,2H2,1H3
InChIKeyUEYCSYGRUYJLAB-UHFFFAOYSA-N
XLogP5.05
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.35
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(benzenesulfonyl)-4-tert-butyl-N-(4-ethylphenyl)benzamide
CID 19211034
N-(benzenesulfonyl)-N-(4-ethylphenyl)-4-nitrobenzamide
CID 19210767
N-(benzenesulfonyl)-N-(4-ethylphenyl)-3,4,5-trimethoxybenzamide
CID 19210874
N-(benzenesulfonyl)-N-(4-ethylphenyl)-4-methyl-3-nitrobenzamide
CID 19211337
N-(benzenesulfonyl)-N-(4-ethylphenyl)-3-nitrobenzamide
CID 19211368
(E)-N-(benzenesulfonyl)-N-(4-ethylphenyl)-3-phenylprop-2-enamide
CID 19211834
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylbenzamide
CID 19210617
N-(benzenesulfonyl)-2-(2-bromo-4-ethylphenoxy)-N-(4-ethylphenyl)acetamide
CID 19219981
4-bromo-N-(4-ethylphenyl)-N-methylbenzenesulfonamide
CID 62001773
N-(benzenesulfonyl)-N-(4-ethylphenyl)-2-(4-methylphenoxy)acetamide
CID 19212677
N-(4-ethylphenyl)-3,5-dimethoxy-N-(4-methylphenyl)sulfonylbenzamide
CID 19211422
N-(4-ethylphenyl)-2-methoxy-N-(4-methylphenyl)sulfonylbenzamide
CID 19210849

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-4-bromo-N-(4-ethylphenyl)benzamide?
The IUPAC name of N-(benzenesulfonyl)-4-bromo-N-(4-ethylphenyl)benzamide (CID 19210712) is N-(benzenesulfonyl)-4-bromo-N-(4-ethylphenyl)benzamide.
What is the SMILES notation for N-(benzenesulfonyl)-4-bromo-N-(4-ethylphenyl)benzamide?
The canonical SMILES for N-(benzenesulfonyl)-4-bromo-N-(4-ethylphenyl)benzamide is CCc1ccc(N(C(=O)c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-(benzenesulfonyl)-4-bromo-N-(4-ethylphenyl)benzamide?
The InChIKey is UEYCSYGRUYJLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrNO3S/c1-2-16-8-14-19(15-9-16)23(21(24)17-10-12-18(22)13-11-17)27(25,26)20-6-4-3-5-7-20/h3-15H,2H2,1H3.
What are the key properties of N-(benzenesulfonyl)-4-bromo-N-(4-ethylphenyl)benzamide?
N-(benzenesulfonyl)-4-bromo-N-(4-ethylphenyl)benzamide has a molecular weight of 444.35 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-4-bromo-N-(4-ethylphenyl)benzamide is sourced from PubChem (CID 19210712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).