N-(2-bromophenyl)-2,3,4-trimethylbenzenesulfonamide

C15H16BrNO2S — CID 21210098

IUPACN-(2-bromophenyl)-2,3,4-trimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2Br)c(C)c1C
InChIInChI=1S/C15H16BrNO2S/c1-10-8-9-15(12(3)11(10)2)20(18,19)17-14-7-5-4-6-13(14)16/h4-9,17H,1-3H3
InChIKeyRTZBJTBYNDHQSF-UHFFFAOYSA-N
MW354.27 g/mol
LogP4.18
Rot. Bonds3

About N-(2-bromophenyl)-2,3,4-trimethylbenzenesulfonamide

N-(2-bromophenyl)-2,3,4-trimethylbenzenesulfonamide (PubChem CID 21210098) has the molecular formula C15H16BrNO2S and a molecular weight of 354.27 g/mol. Its IUPAC name is N-(2-bromophenyl)-2,3,4-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2,3,4-trimethylbenzenesulfonamide
PubChem CID21210098
Molecular FormulaC15H16BrNO2S
Molecular Weight354.27 g/mol
Exact Mass353.01
IUPAC NameN-(2-bromophenyl)-2,3,4-trimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2Br)c(C)c1C
InChIInChI=1S/C15H16BrNO2S/c1-10-8-9-15(12(3)11(10)2)20(18,19)17-14-7-5-4-6-13(14)16/h4-9,17H,1-3H3
InChIKeyRTZBJTBYNDHQSF-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

Analyze N-(2-bromophenyl)-2,3,4-trimethylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(aminomethyl)-N-(2-bromophenyl)-2-methylbenzenesulfonamide
CID 106061237
N-(2-bromophenyl)-2-methoxybenzenesulfonamide
CID 47104314
N-(2-bromophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 100729224
N-(2-bromophenyl)-2-chlorobenzenesulfonamide
CID 4816661
4-bromo-N-(2-bromophenyl)-2-fluorobenzenesulfonamide
CID 97455644
N-(2-bromophenyl)-3-chloro-4-methylbenzenesulfonamide
CID 47308881
N-(2-bromo-5-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 82757156
N-(2-bromo-5-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 82757244
N-(2-bromophenyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide
CID 107328567
N-(5-amino-2-methylphenyl)-2-bromobenzenesulfonamide
CID 28973446
2-bromo-N-(methylsulfamoyl)aniline
CID 71126560
N-(5-amino-2-bromo-4-methylphenyl)-2-bromobenzenesulfonamide
CID 104814633

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2,3,4-trimethylbenzenesulfonamide?
The IUPAC name of N-(2-bromophenyl)-2,3,4-trimethylbenzenesulfonamide (CID 21210098) is N-(2-bromophenyl)-2,3,4-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-bromophenyl)-2,3,4-trimethylbenzenesulfonamide?
The canonical SMILES for N-(2-bromophenyl)-2,3,4-trimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccccc2Br)c(C)c1C.
What is the InChIKey of N-(2-bromophenyl)-2,3,4-trimethylbenzenesulfonamide?
The InChIKey is RTZBJTBYNDHQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2S/c1-10-8-9-15(12(3)11(10)2)20(18,19)17-14-7-5-4-6-13(14)16/h4-9,17H,1-3H3.
What are the key properties of N-(2-bromophenyl)-2,3,4-trimethylbenzenesulfonamide?
N-(2-bromophenyl)-2,3,4-trimethylbenzenesulfonamide 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-bromophenyl)-2,3,4-trimethylbenzenesulfonamide is sourced from PubChem (CID 21210098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).