2-bromo-N-[3-(dimethylamino)-4-methylphenyl]benzenesulfonamide

C15H17BrN2O2S — CID 115379035

IUPAC2-bromo-N-[3-(dimethylamino)-4-methylphenyl]benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccccc2Br)cc1N(C)C
InChIInChI=1S/C15H17BrN2O2S/c1-11-8-9-12(10-14(11)18(2)3)17-21(19,20)15-7-5-4-6-13(15)16/h4-10,17H,1-3H3
InChIKeyHGPHLYUPGZVXCN-UHFFFAOYSA-N
MW369.28 g/mol
LogP3.62
Rot. Bonds4

About 2-bromo-N-[3-(dimethylamino)-4-methylphenyl]benzenesulfonamide

2-bromo-N-[3-(dimethylamino)-4-methylphenyl]benzenesulfonamide (PubChem CID 115379035) has the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol. Its IUPAC name is 2-bromo-N-[3-(dimethylamino)-4-methylphenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[3-(dimethylamino)-4-methylphenyl]benzenesulfonamide
PubChem CID115379035
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC Name2-bromo-N-[3-(dimethylamino)-4-methylphenyl]benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccccc2Br)cc1N(C)C
InChIInChI=1S/C15H17BrN2O2S/c1-11-8-9-12(10-14(11)18(2)3)17-21(19,20)15-7-5-4-6-13(15)16/h4-10,17H,1-3H3
InChIKeyHGPHLYUPGZVXCN-UHFFFAOYSA-N
XLogP3.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(dimethylamino)-4-methylphenyl]-4-methylbenzenesulfonamide
CID 169371894
2-(dimethylamino)-1-methyl-4-(sulfamoylamino)benzene
CID 112573869
N-[3-(dimethylamino)-4-methylphenyl]-4-hydroxybenzenesulfonamide
CID 115378355
2-bromo-N-(4-tert-butylphenyl)benzenesulfonamide
CID 3263186
2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide
CID 3586341
2-bromo-N-[4-chloro-3-[methyl(piperidin-4-yl)amino]phenyl]benzenesulfonamide
CID 67303689
1-chloro-N-[3-(dimethylamino)-4-methylphenyl]methanesulfonamide
CID 115379001
N-(5-amino-2-methylphenyl)-2-bromobenzenesulfonamide
CID 28973446
2-bromo-N-(4-chloro-3-fluorophenyl)benzenesulfonamide
CID 47310409
2-amino-N-(4-bromo-3-methylphenyl)benzenesulfonamide
CID 24707503
5-[(2-bromophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
CID 26267785
2-bromo-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 61215553

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-(dimethylamino)-4-methylphenyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[3-(dimethylamino)-4-methylphenyl]benzenesulfonamide (CID 115379035) is 2-bromo-N-[3-(dimethylamino)-4-methylphenyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[3-(dimethylamino)-4-methylphenyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[3-(dimethylamino)-4-methylphenyl]benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccccc2Br)cc1N(C)C.
What is the InChIKey of 2-bromo-N-[3-(dimethylamino)-4-methylphenyl]benzenesulfonamide?
The InChIKey is HGPHLYUPGZVXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c1-11-8-9-12(10-14(11)18(2)3)17-21(19,20)15-7-5-4-6-13(15)16/h4-10,17H,1-3H3.
What are the key properties of 2-bromo-N-[3-(dimethylamino)-4-methylphenyl]benzenesulfonamide?
2-bromo-N-[3-(dimethylamino)-4-methylphenyl]benzenesulfonamide has a molecular weight of 369.28 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-(dimethylamino)-4-methylphenyl]benzenesulfonamide is sourced from PubChem (CID 115379035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).