N-(2-bromophenyl)-4-methylbenzenesulfonamide

C13H12BrNO2S — CID 793270

IUPACN-(2-bromophenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C13H12BrNO2S/c1-10-6-8-11(9-7-10)18(16,17)15-13-5-3-2-4-12(13)14/h2-9,15H,1H3
InChIKeyNAEOKZYYHWFPCK-UHFFFAOYSA-N
MW326.22 g/mol
LogP3.56
Rot. Bonds3

About N-(2-bromophenyl)-4-methylbenzenesulfonamide

N-(2-bromophenyl)-4-methylbenzenesulfonamide (PubChem CID 793270) has the molecular formula C13H12BrNO2S and a molecular weight of 326.22 g/mol. Its IUPAC name is N-(2-bromophenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-4-methylbenzenesulfonamide
PubChem CID793270
Molecular FormulaC13H12BrNO2S
Molecular Weight326.22 g/mol
Exact Mass324.98
IUPAC NameN-(2-bromophenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C13H12BrNO2S/c1-10-6-8-11(9-7-10)18(16,17)15-13-5-3-2-4-12(13)14/h2-9,15H,1H3
InChIKeyNAEOKZYYHWFPCK-UHFFFAOYSA-N
XLogP3.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(2-bromophenyl)-4-methylbenzenesulfonamide (CID 793270) is N-(2-bromophenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-bromophenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2-bromophenyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1.
What is the InChIKey of N-(2-bromophenyl)-4-methylbenzenesulfonamide?
The InChIKey is NAEOKZYYHWFPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2S/c1-10-6-8-11(9-7-10)18(16,17)15-13-5-3-2-4-12(13)14/h2-9,15H,1H3.
What are the key properties of N-(2-bromophenyl)-4-methylbenzenesulfonamide?
N-(2-bromophenyl)-4-methylbenzenesulfonamide has a molecular weight of 326.22 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 793270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).