N-(4-bromo-2-methylphenyl)-3,5-difluorobenzenesulfonamide

C13H10BrF2NO2S — CID 46800107

IUPACN-(4-bromo-2-methylphenyl)-3,5-difluorobenzenesulfonamide
SMILESCc1cc(Br)ccc1NS(=O)(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C13H10BrF2NO2S/c1-8-4-9(14)2-3-13(8)17-20(18,19)12-6-10(15)5-11(16)7-12/h2-7,17H,1H3
InChIKeyJNYIKJNUVTYQFQ-UHFFFAOYSA-N
MW362.20 g/mol
LogP3.84
Rot. Bonds3

About N-(4-bromo-2-methylphenyl)-3,5-difluorobenzenesulfonamide

N-(4-bromo-2-methylphenyl)-3,5-difluorobenzenesulfonamide (PubChem CID 46800107) has the molecular formula C13H10BrF2NO2S and a molecular weight of 362.20 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-3,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-3,5-difluorobenzenesulfonamide
PubChem CID46800107
Molecular FormulaC13H10BrF2NO2S
Molecular Weight362.20 g/mol
Exact Mass360.96
IUPAC NameN-(4-bromo-2-methylphenyl)-3,5-difluorobenzenesulfonamide
SMILESCc1cc(Br)ccc1NS(=O)(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C13H10BrF2NO2S/c1-8-4-9(14)2-3-13(8)17-20(18,19)12-6-10(15)5-11(16)7-12/h2-7,17H,1H3
InChIKeyJNYIKJNUVTYQFQ-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-4-methylphenyl)-3,5-difluorobenzenesulfonamide
CID 26979452
4-amino-N-(4-bromo-2-methylphenyl)-3-fluorobenzenesulfonamide
CID 82844080
N-(4-bromo-2-methylphenyl)-4-tert-butylbenzenesulfonamide
CID 22774646
N-(4-bromo-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 7938529
2-amino-N-(4-bromo-2-methylphenyl)-5-fluorobenzenesulfonamide
CID 60986250
N-(2,3-dimethylphenyl)-3,5-difluorobenzenesulfonamide
CID 26952276
3-amino-N-(4-bromo-2-chlorophenyl)-5-fluorobenzenesulfonamide
CID 63321999
4-bromo-3-fluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 97161961
N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 6470682
N-(3-bromophenyl)-3,5-difluorobenzenesulfonamide
CID 26951692
4-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzenesulfonamide
CID 28828912
N-(4-amino-3-methylphenyl)-3,5-difluorobenzenesulfonamide
CID 43604849

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-3,5-difluorobenzenesulfonamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-3,5-difluorobenzenesulfonamide (CID 46800107) is N-(4-bromo-2-methylphenyl)-3,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-3,5-difluorobenzenesulfonamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-3,5-difluorobenzenesulfonamide is Cc1cc(Br)ccc1NS(=O)(=O)c1cc(F)cc(F)c1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-3,5-difluorobenzenesulfonamide?
The InChIKey is JNYIKJNUVTYQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF2NO2S/c1-8-4-9(14)2-3-13(8)17-20(18,19)12-6-10(15)5-11(16)7-12/h2-7,17H,1H3.
What are the key properties of N-(4-bromo-2-methylphenyl)-3,5-difluorobenzenesulfonamide?
N-(4-bromo-2-methylphenyl)-3,5-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-(4-bromo-2-methylphenyl)-3,5-difluorobenzenesulfonamide is sourced from PubChem (CID 46800107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).