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

C16H18BrNO2S — CID 146095930

IUPAC4-bromo-N-(2,5-dimethylphenyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2cc(C)c(Br)cc2C)c1
InChIInChI=1S/C16H18BrNO2S/c1-10-5-6-11(2)15(7-10)18-21(19,20)16-9-12(3)14(17)8-13(16)4/h5-9,18H,1-4H3
InChIKeyMRLNNIFUTKWJFJ-UHFFFAOYSA-N
MW368.30 g/mol
LogP4.48
Rot. Bonds3

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

4-bromo-N-(2,5-dimethylphenyl)-2,5-dimethylbenzenesulfonamide (PubChem CID 146095930) has the molecular formula C16H18BrNO2S and a molecular weight of 368.30 g/mol. Its IUPAC name is 4-bromo-N-(2,5-dimethylphenyl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2,5-dimethylphenyl)-2,5-dimethylbenzenesulfonamide
PubChem CID146095930
Molecular FormulaC16H18BrNO2S
Molecular Weight368.30 g/mol
Exact Mass367.02
IUPAC Name4-bromo-N-(2,5-dimethylphenyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2cc(C)c(Br)cc2C)c1
InChIInChI=1S/C16H18BrNO2S/c1-10-5-6-11(2)15(7-10)18-21(19,20)16-9-12(3)14(17)8-13(16)4/h5-9,18H,1-4H3
InChIKeyMRLNNIFUTKWJFJ-UHFFFAOYSA-N
XLogP4.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.30
LogP ≤ 54.48
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)-2,4-dimethylbenzenesulfonamide
CID 82757244
4-bromo-N-(2-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 163343274
4-chloro-N-(2,5-dimethylphenyl)-2-methylbenzenesulfonamide
CID 47308842
2-bromo-N-(5-chloro-2-methylphenyl)-4-methylbenzenesulfonamide
CID 35508307
4-bromo-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 4517500
2-amino-N-(2-bromo-5-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 82745864
5-amino-4-bromo-N-(2,4-dimethylphenyl)-2-methylbenzenesulfonamide
CID 114624853
5-bromo-N-(2-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
CID 8514846
N-(5-amino-2-bromo-4-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 104814670
4-bromo-2,5-dimethyl-N-(2-phenylphenyl)benzenesulfonamide
CID 166373629

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,5-dimethylphenyl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-(2,5-dimethylphenyl)-2,5-dimethylbenzenesulfonamide (CID 146095930) is 4-bromo-N-(2,5-dimethylphenyl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2,5-dimethylphenyl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2,5-dimethylphenyl)-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(NS(=O)(=O)c2cc(C)c(Br)cc2C)c1.
What is the InChIKey of 4-bromo-N-(2,5-dimethylphenyl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is MRLNNIFUTKWJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2S/c1-10-5-6-11(2)15(7-10)18-21(19,20)16-9-12(3)14(17)8-13(16)4/h5-9,18H,1-4H3.
What are the key properties of 4-bromo-N-(2,5-dimethylphenyl)-2,5-dimethylbenzenesulfonamide?
4-bromo-N-(2,5-dimethylphenyl)-2,5-dimethylbenzenesulfonamide has a molecular weight of 368.30 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,5-dimethylphenyl)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 146095930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).