5-amino-2-chloro-4-fluoro-N-(3-methylphenyl)benzenesulfonamide

C13H12ClFN2O2S — CID 61111881

IUPAC5-amino-2-chloro-4-fluoro-N-(3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cc(N)c(F)cc2Cl)c1
InChIInChI=1S/C13H12ClFN2O2S/c1-8-3-2-4-9(5-8)17-20(18,19)13-7-12(16)11(15)6-10(13)14/h2-7,17H,16H2,1H3
InChIKeyYTCQCGNNIPRSDW-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.17
Rot. Bonds3

About 5-amino-2-chloro-4-fluoro-N-(3-methylphenyl)benzenesulfonamide

5-amino-2-chloro-4-fluoro-N-(3-methylphenyl)benzenesulfonamide (PubChem CID 61111881) has the molecular formula C13H12ClFN2O2S and a molecular weight of 314.77 g/mol. Its IUPAC name is 5-amino-2-chloro-4-fluoro-N-(3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-4-fluoro-N-(3-methylphenyl)benzenesulfonamide
PubChem CID61111881
Molecular FormulaC13H12ClFN2O2S
Molecular Weight314.77 g/mol
Exact Mass314.03
IUPAC Name5-amino-2-chloro-4-fluoro-N-(3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cc(N)c(F)cc2Cl)c1
InChIInChI=1S/C13H12ClFN2O2S/c1-8-3-2-4-9(5-8)17-20(18,19)13-7-12(16)11(15)6-10(13)14/h2-7,17H,16H2,1H3
InChIKeyYTCQCGNNIPRSDW-UHFFFAOYSA-N
XLogP3.17
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-chloro-4-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 61112072
5-amino-N-(2-bromo-5-methylphenyl)-2-chloro-4-fluorobenzenesulfonamide
CID 82744624
5-amino-2-chloro-N-(2-chlorophenyl)-4-fluorobenzenesulfonamide
CID 61110957
5-amino-2-chloro-4-fluoro-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587500
5-amino-2-chloro-N-(4-cyanophenyl)-4-fluorobenzenesulfonamide
CID 61111884
2,5-dichloro-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 989106
5-amino-2-chloro-N-(2-ethylphenyl)-4-fluorobenzenesulfonamide
CID 61112458
5-amino-2-methoxy-4-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 79961698
5-amino-2-bromo-N-(2-chloro-6-methylphenyl)-4-fluorobenzenesulfonamide
CID 66252214
N-(3-aminophenyl)-2-fluoro-5-methylbenzenesulfonamide
CID 43602694
7-chloro-4-methyl-N-(3-methylphenyl)-2-oxo-1H-quinoline-6-sulfonamide
CID 99978032
5-amino-N-(3-bromo-4-fluorophenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 104775506

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-4-fluoro-N-(3-methylphenyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-4-fluoro-N-(3-methylphenyl)benzenesulfonamide (CID 61111881) is 5-amino-2-chloro-4-fluoro-N-(3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-4-fluoro-N-(3-methylphenyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-4-fluoro-N-(3-methylphenyl)benzenesulfonamide is Cc1cccc(NS(=O)(=O)c2cc(N)c(F)cc2Cl)c1.
What is the InChIKey of 5-amino-2-chloro-4-fluoro-N-(3-methylphenyl)benzenesulfonamide?
The InChIKey is YTCQCGNNIPRSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O2S/c1-8-3-2-4-9(5-8)17-20(18,19)13-7-12(16)11(15)6-10(13)14/h2-7,17H,16H2,1H3.
What are the key properties of 5-amino-2-chloro-4-fluoro-N-(3-methylphenyl)benzenesulfonamide?
5-amino-2-chloro-4-fluoro-N-(3-methylphenyl)benzenesulfonamide has a molecular weight of 314.77 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-4-fluoro-N-(3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 61111881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).