N-(2-bromo-5-methylphenyl)-2,4-dimethylbenzenesulfonamide

C15H16BrNO2S — CID 82757244

IUPACN-(2-bromo-5-methylphenyl)-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C)ccc2Br)c(C)c1
InChIInChI=1S/C15H16BrNO2S/c1-10-5-7-15(12(3)8-10)20(18,19)17-14-9-11(2)4-6-13(14)16/h4-9,17H,1-3H3
InChIKeyHFVCGNGECVKWNN-UHFFFAOYSA-N
MW354.27 g/mol
LogP4.18
Rot. Bonds3

About N-(2-bromo-5-methylphenyl)-2,4-dimethylbenzenesulfonamide

N-(2-bromo-5-methylphenyl)-2,4-dimethylbenzenesulfonamide (PubChem CID 82757244) has the molecular formula C15H16BrNO2S and a molecular weight of 354.27 g/mol. Its IUPAC name is N-(2-bromo-5-methylphenyl)-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-5-methylphenyl)-2,4-dimethylbenzenesulfonamide
PubChem CID82757244
Molecular FormulaC15H16BrNO2S
Molecular Weight354.27 g/mol
Exact Mass353.01
IUPAC NameN-(2-bromo-5-methylphenyl)-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C)ccc2Br)c(C)c1
InChIInChI=1S/C15H16BrNO2S/c1-10-5-7-15(12(3)8-10)20(18,19)17-14-9-11(2)4-6-13(14)16/h4-9,17H,1-3H3
InChIKeyHFVCGNGECVKWNN-UHFFFAOYSA-N
XLogP4.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dibromo-N-(2-bromo-5-methylphenyl)-4-methylbenzenesulfonamide
CID 82746274
N-(2-bromo-5-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 82757156
N-(2-bromo-5-methylphenyl)-4-cyano-2-methylbenzenesulfonamide
CID 103866062
N-(5-amino-2-bromo-4-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 104814670
2-amino-N-(2-bromo-5-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 82745864
4-bromo-N-(2,5-dimethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 146095930
5-amino-4-bromo-N-(2,4-dimethylphenyl)-2-methylbenzenesulfonamide
CID 114624853
N-(2-bromo-5-methylphenyl)-2,5-difluorobenzenesulfonamide
CID 82705054
5-amino-N-(2-bromo-5-methylphenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 82744627
N-(4-amino-2-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 43120010
4-chloro-N-(2,5-dimethylphenyl)-2-methylbenzenesulfonamide
CID 47308842
3-[(2,4-dimethylphenyl)sulfonylamino]-4,5-dimethylbenzenesulfonamide
CID 9241717

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methylphenyl)-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(2-bromo-5-methylphenyl)-2,4-dimethylbenzenesulfonamide (CID 82757244) is N-(2-bromo-5-methylphenyl)-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-bromo-5-methylphenyl)-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2-bromo-5-methylphenyl)-2,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(C)ccc2Br)c(C)c1.
What is the InChIKey of N-(2-bromo-5-methylphenyl)-2,4-dimethylbenzenesulfonamide?
The InChIKey is HFVCGNGECVKWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2S/c1-10-5-7-15(12(3)8-10)20(18,19)17-14-9-11(2)4-6-13(14)16/h4-9,17H,1-3H3.
What are the key properties of N-(2-bromo-5-methylphenyl)-2,4-dimethylbenzenesulfonamide?
N-(2-bromo-5-methylphenyl)-2,4-dimethylbenzenesulfonamide has a molecular weight of 354.27 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methylphenyl)-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 82757244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).