4-bromo-N-[(3,4-difluorophenyl)methyl]-N,3-dimethylbenzenesulfonamide

C15H14BrF2NO2S — CID 24679086

IUPAC4-bromo-N-[(3,4-difluorophenyl)methyl]-N,3-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)Cc2ccc(F)c(F)c2)ccc1Br
InChIInChI=1S/C15H14BrF2NO2S/c1-10-7-12(4-5-13(10)16)22(20,21)19(2)9-11-3-6-14(17)15(18)8-11/h3-8H,9H2,1-2H3
InChIKeyZJQDFJXLZILYLC-UHFFFAOYSA-N
MW390.25 g/mol
LogP3.86
Rot. Bonds4

About 4-bromo-N-[(3,4-difluorophenyl)methyl]-N,3-dimethylbenzenesulfonamide

4-bromo-N-[(3,4-difluorophenyl)methyl]-N,3-dimethylbenzenesulfonamide (PubChem CID 24679086) has the molecular formula C15H14BrF2NO2S and a molecular weight of 390.25 g/mol. Its IUPAC name is 4-bromo-N-[(3,4-difluorophenyl)methyl]-N,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[(3,4-difluorophenyl)methyl]-N,3-dimethylbenzenesulfonamide
PubChem CID24679086
Molecular FormulaC15H14BrF2NO2S
Molecular Weight390.25 g/mol
Exact Mass388.99
IUPAC Name4-bromo-N-[(3,4-difluorophenyl)methyl]-N,3-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)Cc2ccc(F)c(F)c2)ccc1Br
InChIInChI=1S/C15H14BrF2NO2S/c1-10-7-12(4-5-13(10)16)22(20,21)19(2)9-11-3-6-14(17)15(18)8-11/h3-8H,9H2,1-2H3
InChIKeyZJQDFJXLZILYLC-UHFFFAOYSA-N
XLogP3.86
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.25
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-bromo-N-[(3,4-difluorophenyl)methyl]-N,3-dimethylbenzenesulfonamide 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

4-bromo-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylbenzenesulfonamide
CID 103697185
4-bromo-3-fluoro-N-[(4-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 103834156
4-cyano-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 24679084
4-bromo-N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylbenzenesulfonamide
CID 63420380
N-[(4-bromophenyl)methyl]-3-chloro-4-fluoro-N-methylbenzenesulfonamide
CID 7937766
4-bromo-N-butyl-N,3-dimethylbenzenesulfonamide
CID 54917653
2,6-dichloro-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 24679077
N-[(4-bromophenyl)methyl]-4-methoxy-N,3-dimethylbenzenesulfonamide
CID 37497105
2,5-dichloro-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 24679062
N-[(1-benzylpyrazol-4-yl)methyl]-4-bromo-N,3-dimethylbenzenesulfonamide
CID 26545286
3-bromo-N-[(4-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 28956911
4-bromo-3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 103697191

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(3,4-difluorophenyl)methyl]-N,3-dimethylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-[(3,4-difluorophenyl)methyl]-N,3-dimethylbenzenesulfonamide (CID 24679086) is 4-bromo-N-[(3,4-difluorophenyl)methyl]-N,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[(3,4-difluorophenyl)methyl]-N,3-dimethylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-[(3,4-difluorophenyl)methyl]-N,3-dimethylbenzenesulfonamide is Cc1cc(S(=O)(=O)N(C)Cc2ccc(F)c(F)c2)ccc1Br.
What is the InChIKey of 4-bromo-N-[(3,4-difluorophenyl)methyl]-N,3-dimethylbenzenesulfonamide?
The InChIKey is ZJQDFJXLZILYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2NO2S/c1-10-7-12(4-5-13(10)16)22(20,21)19(2)9-11-3-6-14(17)15(18)8-11/h3-8H,9H2,1-2H3.
What are the key properties of 4-bromo-N-[(3,4-difluorophenyl)methyl]-N,3-dimethylbenzenesulfonamide?
4-bromo-N-[(3,4-difluorophenyl)methyl]-N,3-dimethylbenzenesulfonamide has a molecular weight of 390.25 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(3,4-difluorophenyl)methyl]-N,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 24679086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).