N-(2-bromo-5-methylphenyl)-2,5-difluorobenzenesulfonamide

C13H10BrF2NO2S — CID 82705054

IUPACN-(2-bromo-5-methylphenyl)-2,5-difluorobenzenesulfonamide
SMILESCc1ccc(Br)c(NS(=O)(=O)c2cc(F)ccc2F)c1
InChIInChI=1S/C13H10BrF2NO2S/c1-8-2-4-10(14)12(6-8)17-20(18,19)13-7-9(15)3-5-11(13)16/h2-7,17H,1H3
InChIKeyVWFDXQFPQJZRPC-UHFFFAOYSA-N
MW362.20 g/mol
LogP3.84
Rot. Bonds3

About N-(2-bromo-5-methylphenyl)-2,5-difluorobenzenesulfonamide

N-(2-bromo-5-methylphenyl)-2,5-difluorobenzenesulfonamide (PubChem CID 82705054) has the molecular formula C13H10BrF2NO2S and a molecular weight of 362.20 g/mol. Its IUPAC name is N-(2-bromo-5-methylphenyl)-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-5-methylphenyl)-2,5-difluorobenzenesulfonamide
PubChem CID82705054
Molecular FormulaC13H10BrF2NO2S
Molecular Weight362.20 g/mol
Exact Mass360.96
IUPAC NameN-(2-bromo-5-methylphenyl)-2,5-difluorobenzenesulfonamide
SMILESCc1ccc(Br)c(NS(=O)(=O)c2cc(F)ccc2F)c1
InChIInChI=1S/C13H10BrF2NO2S/c1-8-2-4-10(14)12(6-8)17-20(18,19)13-7-9(15)3-5-11(13)16/h2-7,17H,1H3
InChIKeyVWFDXQFPQJZRPC-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

N-(2-bromo-5-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 103752869
N-(2-bromo-5-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 82757156
N-(2-bromo-5-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 82757244
5-amino-N-(2-bromo-5-methylphenyl)-2-chloro-4-fluorobenzenesulfonamide
CID 82744624
2,5-dibromo-N-(2-bromo-5-methylphenyl)-4-methylbenzenesulfonamide
CID 82746274
5-bromo-N-(2-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
CID 8514846
N-(5-chloro-2-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 9238961
2,5-difluoro-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 9235627
5-amino-N-(2-bromo-5-methylphenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 82744627
4-amino-2-bromo-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
CID 43256663
N-(2-bromo-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 845073
N-(2-bromo-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 28939220

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methylphenyl)-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-(2-bromo-5-methylphenyl)-2,5-difluorobenzenesulfonamide (CID 82705054) is N-(2-bromo-5-methylphenyl)-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-(2-bromo-5-methylphenyl)-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-(2-bromo-5-methylphenyl)-2,5-difluorobenzenesulfonamide is Cc1ccc(Br)c(NS(=O)(=O)c2cc(F)ccc2F)c1.
What is the InChIKey of N-(2-bromo-5-methylphenyl)-2,5-difluorobenzenesulfonamide?
The InChIKey is VWFDXQFPQJZRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF2NO2S/c1-8-2-4-10(14)12(6-8)17-20(18,19)13-7-9(15)3-5-11(13)16/h2-7,17H,1H3.
What are the key properties of N-(2-bromo-5-methylphenyl)-2,5-difluorobenzenesulfonamide?
N-(2-bromo-5-methylphenyl)-2,5-difluorobenzenesulfonamide 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 N-(2-bromo-5-methylphenyl)-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 82705054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).