N-(3-bromophenyl)-3,5-difluorobenzenesulfonamide

C12H8BrF2NO2S — CID 26951692

IUPACN-(3-bromophenyl)-3,5-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cccc(Br)c1)c1cc(F)cc(F)c1
InChIInChI=1S/C12H8BrF2NO2S/c13-8-2-1-3-11(4-8)16-19(17,18)12-6-9(14)5-10(15)7-12/h1-7,16H
InChIKeyJLZNNLMWWFZCHC-UHFFFAOYSA-N
MW348.17 g/mol
LogP3.53
Rot. Bonds3

About N-(3-bromophenyl)-3,5-difluorobenzenesulfonamide

N-(3-bromophenyl)-3,5-difluorobenzenesulfonamide (PubChem CID 26951692) has the molecular formula C12H8BrF2NO2S and a molecular weight of 348.17 g/mol. Its IUPAC name is N-(3-bromophenyl)-3,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3,5-difluorobenzenesulfonamide
PubChem CID26951692
Molecular FormulaC12H8BrF2NO2S
Molecular Weight348.17 g/mol
Exact Mass346.94
IUPAC NameN-(3-bromophenyl)-3,5-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cccc(Br)c1)c1cc(F)cc(F)c1
InChIInChI=1S/C12H8BrF2NO2S/c13-8-2-1-3-11(4-8)16-19(17,18)12-6-9(14)5-10(15)7-12/h1-7,16H
InChIKeyJLZNNLMWWFZCHC-UHFFFAOYSA-N
XLogP3.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.17
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-bromophenyl)-3,5-difluorobenzenesulfonamide 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

N-(3-bromophenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 3372952
N-(3-bromophenyl)-2-fluorobenzenesulfonamide
CID 4788445
3-(benzenesulfonyl)-N-(3-bromophenyl)benzenesulfonamide
CID 1310237
3-bromo-N-[(3-bromophenyl)sulfamoyl]aniline
CID 132513071
3-(aminomethyl)-N-(3-bromophenyl)-4-chloro-5-fluorobenzenesulfonamide
CID 106061634
3-(aminomethyl)-N-(3-bromophenyl)-4-fluorobenzenesulfonamide
CID 106061491
1-[3-[(3,5-difluorophenyl)sulfonylamino]phenyl]-3-methylurea
CID 36511499
N-(4-bromo-2-methylphenyl)-3,5-difluorobenzenesulfonamide
CID 46800107
N-(4-amino-3-methylphenyl)-3,5-difluorobenzenesulfonamide
CID 43604849
2-amino-N-(3-bromophenyl)-3-fluorobenzenesulfonamide
CID 62057135
1-bromo-3-(sulfamoylamino)benzene
CID 24707479
3,5-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide
CID 43604154

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3,5-difluorobenzenesulfonamide?
The IUPAC name of N-(3-bromophenyl)-3,5-difluorobenzenesulfonamide (CID 26951692) is N-(3-bromophenyl)-3,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-(3-bromophenyl)-3,5-difluorobenzenesulfonamide?
The canonical SMILES for N-(3-bromophenyl)-3,5-difluorobenzenesulfonamide is O=S(=O)(Nc1cccc(Br)c1)c1cc(F)cc(F)c1.
What is the InChIKey of N-(3-bromophenyl)-3,5-difluorobenzenesulfonamide?
The InChIKey is JLZNNLMWWFZCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF2NO2S/c13-8-2-1-3-11(4-8)16-19(17,18)12-6-9(14)5-10(15)7-12/h1-7,16H.
What are the key properties of N-(3-bromophenyl)-3,5-difluorobenzenesulfonamide?
N-(3-bromophenyl)-3,5-difluorobenzenesulfonamide has a molecular weight of 348.17 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3,5-difluorobenzenesulfonamide is sourced from PubChem (CID 26951692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).