4-bromo-2,5-difluoro-N-(4-methylphenyl)benzenesulfonamide

C13H10BrF2NO2S — CID 2809184

IUPAC4-bromo-2,5-difluoro-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(F)c(Br)cc2F)cc1
InChIInChI=1S/C13H10BrF2NO2S/c1-8-2-4-9(5-3-8)17-20(18,19)13-7-11(15)10(14)6-12(13)16/h2-7,17H,1H3
InChIKeyNKJRKAHQVZYWFW-UHFFFAOYSA-N
MW362.20 g/mol
LogP3.84
Rot. Bonds3

About 4-bromo-2,5-difluoro-N-(4-methylphenyl)benzenesulfonamide

4-bromo-2,5-difluoro-N-(4-methylphenyl)benzenesulfonamide (PubChem CID 2809184) has the molecular formula C13H10BrF2NO2S and a molecular weight of 362.20 g/mol. Its IUPAC name is 4-bromo-2,5-difluoro-N-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,5-difluoro-N-(4-methylphenyl)benzenesulfonamide
PubChem CID2809184
Molecular FormulaC13H10BrF2NO2S
Molecular Weight362.20 g/mol
Exact Mass360.96
IUPAC Name4-bromo-2,5-difluoro-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(F)c(Br)cc2F)cc1
InChIInChI=1S/C13H10BrF2NO2S/c1-8-2-4-9(5-3-8)17-20(18,19)13-7-11(15)10(14)6-12(13)16/h2-7,17H,1H3
InChIKeyNKJRKAHQVZYWFW-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(4-bromo-3-fluorophenyl)-4-methylbenzenesulfonamide
CID 65436218
N-(3-bromo-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 115663206
2,4-difluoro-N-[4-(4-methylphenoxy)phenyl]benzenesulfonamide
CID 2494967
5-amino-4-bromo-N-(4-ethylphenyl)-2-fluorobenzenesulfonamide
CID 116529396
4-bromo-2,5-difluoro-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]benzenesulfonamide
CID 67071258
N-[4-[5-[(4-bromo-2,5-difluorophenyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]phenyl]acetamide
CID 22027893
1-N,2-N-bis(4-methylphenyl)benzene-1,2-disulfonamide
CID 23387080
2,5-dibromo-N-(3-bromo-4-fluorophenyl)-4-methylbenzenesulfonamide
CID 104779619
2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide
CID 107593575
N-(4-aminophenyl)-2-bromo-4-methylbenzenesulfonamide
CID 43602585
5-bromo-N-(4-methylphenyl)-2-nitrobenzenesulfonamide
CID 61016849
N-(4-acetylphenyl)-2-bromo-4-methylbenzenesulfonamide
CID 35506281

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,5-difluoro-N-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2,5-difluoro-N-(4-methylphenyl)benzenesulfonamide (CID 2809184) is 4-bromo-2,5-difluoro-N-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,5-difluoro-N-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2,5-difluoro-N-(4-methylphenyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2cc(F)c(Br)cc2F)cc1.
What is the InChIKey of 4-bromo-2,5-difluoro-N-(4-methylphenyl)benzenesulfonamide?
The InChIKey is NKJRKAHQVZYWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF2NO2S/c1-8-2-4-9(5-3-8)17-20(18,19)13-7-11(15)10(14)6-12(13)16/h2-7,17H,1H3.
What are the key properties of 4-bromo-2,5-difluoro-N-(4-methylphenyl)benzenesulfonamide?
4-bromo-2,5-difluoro-N-(4-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 4-bromo-2,5-difluoro-N-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 2809184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).