5-amino-N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzenesulfonamide

C13H11ClF2N2O2S — CID 80629247

IUPAC5-amino-N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c1F
InChIInChI=1S/C13H11ClF2N2O2S/c1-7-4-8(17)5-12(13(7)16)21(19,20)18-9-2-3-11(15)10(14)6-9/h2-6,18H,17H2,1H3
InChIKeyIXWUBNQIARCWFI-UHFFFAOYSA-N
MW332.76 g/mol
LogP3.31
Rot. Bonds3

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

5-amino-N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzenesulfonamide (PubChem CID 80629247) has the molecular formula C13H11ClF2N2O2S and a molecular weight of 332.76 g/mol. Its IUPAC name is 5-amino-N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzenesulfonamide
PubChem CID80629247
Molecular FormulaC13H11ClF2N2O2S
Molecular Weight332.76 g/mol
Exact Mass332.02
IUPAC Name5-amino-N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c1F
InChIInChI=1S/C13H11ClF2N2O2S/c1-7-4-8(17)5-12(13(7)16)21(19,20)18-9-2-3-11(15)10(14)6-9/h2-6,18H,17H2,1H3
InChIKeyIXWUBNQIARCWFI-UHFFFAOYSA-N
XLogP3.31
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.76
LogP ≤ 53.31
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-N-(3,4-dichlorophenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80629046
5-amino-N-(3,5-dichlorophenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80629045
5-amino-3-chloro-N-(3-chloro-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 43258123
5-amino-N-(4-chloro-3-fluorophenyl)-2,3-dimethylbenzenesulfonamide
CID 61467096
5-amino-N-(4-chloro-2-iodophenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 107624570
N-(3-chloro-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 793232
5-amino-N-(4-bromo-2-chlorophenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80628443
3-amino-N-(3-chloro-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 79885675
3-amino-N-(3-chloro-4-fluorophenyl)-2,6-dimethylbenzenesulfonamide
CID 43258685
5-amino-N-(3-bromo-4-fluorophenyl)-3-chloro-2-fluorobenzenesulfonamide
CID 104775483
2-amino-4-chloro-N-(3-chloro-4-fluorophenyl)benzenesulfonamide
CID 28938069
5-amino-N-(3-chloro-2-methylphenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80629038

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzenesulfonamide (CID 80629247) is 5-amino-N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c1F.
What is the InChIKey of 5-amino-N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzenesulfonamide?
The InChIKey is IXWUBNQIARCWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2N2O2S/c1-7-4-8(17)5-12(13(7)16)21(19,20)18-9-2-3-11(15)10(14)6-9/h2-6,18H,17H2,1H3.
What are the key properties of 5-amino-N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzenesulfonamide?
5-amino-N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzenesulfonamide has a molecular weight of 332.76 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzenesulfonamide is sourced from PubChem (CID 80629247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).