3-[(4-bromophenyl)sulfonylamino]-2-methylbenzamide

C14H13BrN2O3S — CID 39846088

IUPAC3-[(4-bromophenyl)sulfonylamino]-2-methylbenzamide
SMILESCc1c(NS(=O)(=O)c2ccc(Br)cc2)cccc1C(N)=O
InChIInChI=1S/C14H13BrN2O3S/c1-9-12(14(16)18)3-2-4-13(9)17-21(19,20)11-7-5-10(15)6-8-11/h2-8,17H,1H3,(H2,16,18)
InChIKeyWVBBIZIORRFIET-UHFFFAOYSA-N
MW369.24 g/mol
LogP2.66
Rot. Bonds4

About 3-[(4-bromophenyl)sulfonylamino]-2-methylbenzamide

3-[(4-bromophenyl)sulfonylamino]-2-methylbenzamide (PubChem CID 39846088) has the molecular formula C14H13BrN2O3S and a molecular weight of 369.24 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfonylamino]-2-methylbenzamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfonylamino]-2-methylbenzamide
PubChem CID39846088
Molecular FormulaC14H13BrN2O3S
Molecular Weight369.24 g/mol
Exact Mass367.98
IUPAC Name3-[(4-bromophenyl)sulfonylamino]-2-methylbenzamide
SMILESCc1c(NS(=O)(=O)c2ccc(Br)cc2)cccc1C(N)=O
InChIInChI=1S/C14H13BrN2O3S/c1-9-12(14(16)18)3-2-4-13(9)17-21(19,20)11-7-5-10(15)6-8-11/h2-8,17H,1H3,(H2,16,18)
InChIKeyWVBBIZIORRFIET-UHFFFAOYSA-N
XLogP2.66
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.24
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetyl-2-methylphenyl)-4-bromobenzenesulfonamide
CID 91114116
2-methyl-3-[(4-methyl-3-nitrophenyl)sulfonylamino]benzamide
CID 39846212
2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)benzamide
CID 2334087
3-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-methylbenzamide
CID 47073253
2-methyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide
CID 39846063
3-[(4-bromophenyl)sulfonylamino]-2-hydroxybenzoic acid
CID 104833135
N-[2-[(4-bromophenyl)sulfonylamino]phenyl]acetamide
CID 113093694
4-[(3-chloro-2-methylphenyl)sulfamoyl]benzamide
CID 51263313
2-methyl-3-[(2-phenylphenyl)sulfonylamino]benzamide
CID 39846336
3-[(2-methoxyphenyl)sulfonylamino]-2-methylbenzamide
CID 86983204
2-[(5-bromo-2-methylphenyl)sulfonylamino]benzamide
CID 17412326
4-bromo-2-[(4-bromophenyl)sulfonylamino]benzenecarbothioamide
CID 107799027

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-2-methylbenzamide?
The IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-2-methylbenzamide (CID 39846088) is 3-[(4-bromophenyl)sulfonylamino]-2-methylbenzamide.
What is the SMILES notation for 3-[(4-bromophenyl)sulfonylamino]-2-methylbenzamide?
The canonical SMILES for 3-[(4-bromophenyl)sulfonylamino]-2-methylbenzamide is Cc1c(NS(=O)(=O)c2ccc(Br)cc2)cccc1C(N)=O.
What is the InChIKey of 3-[(4-bromophenyl)sulfonylamino]-2-methylbenzamide?
The InChIKey is WVBBIZIORRFIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3S/c1-9-12(14(16)18)3-2-4-13(9)17-21(19,20)11-7-5-10(15)6-8-11/h2-8,17H,1H3,(H2,16,18).
What are the key properties of 3-[(4-bromophenyl)sulfonylamino]-2-methylbenzamide?
3-[(4-bromophenyl)sulfonylamino]-2-methylbenzamide has a molecular weight of 369.24 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)sulfonylamino]-2-methylbenzamide is sourced from PubChem (CID 39846088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).