N-(4-bromo-3-methylphenyl)-3-(methylsulfonylmethyl)benzamide

C16H16BrNO3S — CID 27667538

IUPACN-(4-bromo-3-methylphenyl)-3-(methylsulfonylmethyl)benzamide
SMILESCc1cc(NC(=O)c2cccc(CS(C)(=O)=O)c2)ccc1Br
InChIInChI=1S/C16H16BrNO3S/c1-11-8-14(6-7-15(11)17)18-16(19)13-5-3-4-12(9-13)10-22(2,20)21/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyDESNABXHTZIUEH-UHFFFAOYSA-N
MW382.28 g/mol
LogP3.55
Rot. Bonds4

About N-(4-bromo-3-methylphenyl)-3-(methylsulfonylmethyl)benzamide

N-(4-bromo-3-methylphenyl)-3-(methylsulfonylmethyl)benzamide (PubChem CID 27667538) has the molecular formula C16H16BrNO3S and a molecular weight of 382.28 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-3-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-3-(methylsulfonylmethyl)benzamide
PubChem CID27667538
Molecular FormulaC16H16BrNO3S
Molecular Weight382.28 g/mol
Exact Mass381.00
IUPAC NameN-(4-bromo-3-methylphenyl)-3-(methylsulfonylmethyl)benzamide
SMILESCc1cc(NC(=O)c2cccc(CS(C)(=O)=O)c2)ccc1Br
InChIInChI=1S/C16H16BrNO3S/c1-11-8-14(6-7-15(11)17)18-16(19)13-5-3-4-12(9-13)10-22(2,20)21/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyDESNABXHTZIUEH-UHFFFAOYSA-N
XLogP3.55
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.28
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethylphenyl)-3-(methylsulfonylmethyl)benzamide
CID 7668726
N-(3,4-dimethoxyphenyl)-3-(methylsulfonylmethyl)benzamide
CID 27667578
3-N-(4-bromo-3-methylphenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050442
N-[3-(diethylcarbamoyl)phenyl]-3-(methylsulfonylmethyl)benzamide
CID 26313396
1-N-(4-bromo-3-methylphenyl)-3-N-tert-butylbenzene-1,3-dicarboxamide
CID 109056065
N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(methylsulfonylmethyl)benzamide
CID 55618945
3-(methylsulfonylmethyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 9188162
4-bromo-N-(3,4-dimethylphenyl)-3-methylbenzamide
CID 113396743
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-3-(methylsulfonylmethyl)benzamide
CID 55778199
N-(4-bromo-3-methylphenyl)-4-(methanesulfonamido)-3-methylbenzamide
CID 19062672
N-(4-bromo-2-fluorophenyl)-3-(methylsulfonylmethyl)benzamide
CID 27667525
N-(4-bromo-3-methylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2382518

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-3-(methylsulfonylmethyl)benzamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-3-(methylsulfonylmethyl)benzamide (CID 27667538) is N-(4-bromo-3-methylphenyl)-3-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-3-(methylsulfonylmethyl)benzamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-3-(methylsulfonylmethyl)benzamide is Cc1cc(NC(=O)c2cccc(CS(C)(=O)=O)c2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-3-(methylsulfonylmethyl)benzamide?
The InChIKey is DESNABXHTZIUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO3S/c1-11-8-14(6-7-15(11)17)18-16(19)13-5-3-4-12(9-13)10-22(2,20)21/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of N-(4-bromo-3-methylphenyl)-3-(methylsulfonylmethyl)benzamide?
N-(4-bromo-3-methylphenyl)-3-(methylsulfonylmethyl)benzamide has a molecular weight of 382.28 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-3-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 27667538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).