N-(4-amino-3-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide

C13H12ClFN2O2S — CID 43604420

IUPACN-(4-amino-3-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)Nc1ccc(N)c(Cl)c1
InChIInChI=1S/C13H12ClFN2O2S/c1-8-2-3-9(15)6-13(8)20(18,19)17-10-4-5-12(16)11(14)7-10/h2-7,17H,16H2,1H3
InChIKeyVSMSYXOPHXXFQR-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.17
Rot. Bonds3

About N-(4-amino-3-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide

N-(4-amino-3-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide (PubChem CID 43604420) has the molecular formula C13H12ClFN2O2S and a molecular weight of 314.77 g/mol. Its IUPAC name is N-(4-amino-3-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-amino-3-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide
PubChem CID43604420
Molecular FormulaC13H12ClFN2O2S
Molecular Weight314.77 g/mol
Exact Mass314.03
IUPAC NameN-(4-amino-3-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)Nc1ccc(N)c(Cl)c1
InChIInChI=1S/C13H12ClFN2O2S/c1-8-2-3-9(15)6-13(8)20(18,19)17-10-4-5-12(16)11(14)7-10/h2-7,17H,16H2,1H3
InChIKeyVSMSYXOPHXXFQR-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

N-(3-amino-4-ethylphenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43551076
N-(3-chloro-4-methylphenyl)-2,5-difluorobenzenesulfonamide
CID 9234950
N-(3,5-dichloro-4-hydroxyphenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 82880647
2-amino-5-fluoro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62811281
N-(4-amino-3-bromophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399595
N-(3-bromo-4-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115610706
N-(3-chloro-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 793232
2-amino-4-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 29298856
5-fluoro-2-methyl-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 3600793
N-[3-chloro-4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-5-fluoro-2-methylbenzenesulfonamide
CID 46392575
N-[3-chloro-4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5-fluoro-2-methylbenzenesulfonamide
CID 46392544
N-(2-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 47308992

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-(4-amino-3-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide (CID 43604420) is N-(4-amino-3-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-amino-3-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-(4-amino-3-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)Nc1ccc(N)c(Cl)c1.
What is the InChIKey of N-(4-amino-3-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide?
The InChIKey is VSMSYXOPHXXFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O2S/c1-8-2-3-9(15)6-13(8)20(18,19)17-10-4-5-12(16)11(14)7-10/h2-7,17H,16H2,1H3.
What are the key properties of N-(4-amino-3-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide?
N-(4-amino-3-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide 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 N-(4-amino-3-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 43604420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).