2-bromo-4-fluoro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide

C13H10BrF2NO2S — CID 62811743

IUPAC2-bromo-4-fluoro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(F)cc2Br)ccc1F
InChIInChI=1S/C13H10BrF2NO2S/c1-8-6-10(3-4-12(8)16)17-20(18,19)13-5-2-9(15)7-11(13)14/h2-7,17H,1H3
InChIKeyHODVSXMKCHKNBI-UHFFFAOYSA-N
MW362.20 g/mol
LogP3.84
Rot. Bonds3

About 2-bromo-4-fluoro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide

2-bromo-4-fluoro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide (PubChem CID 62811743) has the molecular formula C13H10BrF2NO2S and a molecular weight of 362.20 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
PubChem CID62811743
Molecular FormulaC13H10BrF2NO2S
Molecular Weight362.20 g/mol
Exact Mass360.96
IUPAC Name2-bromo-4-fluoro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(F)cc2Br)ccc1F
InChIInChI=1S/C13H10BrF2NO2S/c1-8-6-10(3-4-12(8)16)17-20(18,19)13-5-2-9(15)7-11(13)14/h2-7,17H,1H3
InChIKeyHODVSXMKCHKNBI-UHFFFAOYSA-N
XLogP3.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.20
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-fluoro-N-(4-iodophenyl)benzenesulfonamide
CID 47203987
2-amino-5-fluoro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62811281
2-bromo-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 47257466
2-bromo-4-fluoro-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 78955831
2,5-dibromo-N-(3-bromo-4-fluorophenyl)-4-methylbenzenesulfonamide
CID 104779619
2-bromo-N-(4-bromo-3-fluorophenyl)-4-methylbenzenesulfonamide
CID 65436218
N-(4-bromo-3-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115610699
2-bromo-4-fluoro-N-pyridin-4-ylbenzenesulfonamide
CID 60823438
2-amino-N-(4-fluoro-3-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 62809296
N-(6-amino-3-pyridinyl)-2-bromo-4-fluorobenzenesulfonamide
CID 60824210
2-bromo-4-fluoro-N-thiophen-3-ylbenzenesulfonamide
CID 66355037
2-bromo-4-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide
CID 61221276

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide?
The IUPAC name of 2-bromo-4-fluoro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide (CID 62811743) is 2-bromo-4-fluoro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4-fluoro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(F)cc2Br)ccc1F.
What is the InChIKey of 2-bromo-4-fluoro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide?
The InChIKey is HODVSXMKCHKNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF2NO2S/c1-8-6-10(3-4-12(8)16)17-20(18,19)13-5-2-9(15)7-11(13)14/h2-7,17H,1H3.
What are the key properties of 2-bromo-4-fluoro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide?
2-bromo-4-fluoro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide has a molecular weight of 362.20 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 62811743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).