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

C13H11ClF2N2O2S — CID 79898910

IUPAC5-amino-N-(3-chloro-2-fluorophenyl)-3-fluoro-2-methylbenzenesulfonamide
SMILESCc1c(F)cc(N)cc1S(=O)(=O)Nc1cccc(Cl)c1F
InChIInChI=1S/C13H11ClF2N2O2S/c1-7-10(15)5-8(17)6-12(7)21(19,20)18-11-4-2-3-9(14)13(11)16/h2-6,18H,17H2,1H3
InChIKeyWHAVUVLXGHVXKE-UHFFFAOYSA-N
MW332.76 g/mol
LogP3.31
Rot. Bonds3

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

5-amino-N-(3-chloro-2-fluorophenyl)-3-fluoro-2-methylbenzenesulfonamide (PubChem CID 79898910) has the molecular formula C13H11ClF2N2O2S and a molecular weight of 332.76 g/mol. Its IUPAC name is 5-amino-N-(3-chloro-2-fluorophenyl)-3-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(3-chloro-2-fluorophenyl)-3-fluoro-2-methylbenzenesulfonamide
PubChem CID79898910
Molecular FormulaC13H11ClF2N2O2S
Molecular Weight332.76 g/mol
Exact Mass332.02
IUPAC Name5-amino-N-(3-chloro-2-fluorophenyl)-3-fluoro-2-methylbenzenesulfonamide
SMILESCc1c(F)cc(N)cc1S(=O)(=O)Nc1cccc(Cl)c1F
InChIInChI=1S/C13H11ClF2N2O2S/c1-7-10(15)5-8(17)6-12(7)21(19,20)18-11-4-2-3-9(14)13(11)16/h2-6,18H,17H2,1H3
InChIKeyWHAVUVLXGHVXKE-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-(2,5-dichlorophenyl)-3-fluoro-2-methylbenzenesulfonamide
CID 79898634
5-amino-3-chloro-N-(3-chloro-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 43258199
3-amino-N-(3-chloro-2-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 79885971
5-amino-N-(3-chloro-2-methylphenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80629038
5-chloro-N-(3-chloro-2-fluorophenyl)-2-methylbenzenesulfonamide
CID 38890087
2,5-dibromo-N-(3-chloro-2-fluorophenyl)-4-methylbenzenesulfonamide
CID 81427284
5-amino-3-fluoro-N-(3-fluorophenyl)-2-methylbenzenesulfonamide
CID 79896534
5-amino-2-fluoro-N-(3-fluoro-2-methylphenyl)-3-methylbenzenesulfonamide
CID 80629184
5-amino-N-(2-bromo-3-chlorophenyl)-3-chloro-2-fluorobenzenesulfonamide
CID 103477337
5-amino-N-(3-bromo-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 107624395
4-amino-2-bromo-N-(3-chloro-2-methylphenyl)benzenesulfonamide
CID 43256354
5-amino-N-(2-chloro-5-methylphenyl)-2,3-difluorobenzenesulfonamide
CID 107624495

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-chloro-2-fluorophenyl)-3-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(3-chloro-2-fluorophenyl)-3-fluoro-2-methylbenzenesulfonamide (CID 79898910) is 5-amino-N-(3-chloro-2-fluorophenyl)-3-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(3-chloro-2-fluorophenyl)-3-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(3-chloro-2-fluorophenyl)-3-fluoro-2-methylbenzenesulfonamide is Cc1c(F)cc(N)cc1S(=O)(=O)Nc1cccc(Cl)c1F.
What is the InChIKey of 5-amino-N-(3-chloro-2-fluorophenyl)-3-fluoro-2-methylbenzenesulfonamide?
The InChIKey is WHAVUVLXGHVXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2N2O2S/c1-7-10(15)5-8(17)6-12(7)21(19,20)18-11-4-2-3-9(14)13(11)16/h2-6,18H,17H2,1H3.
What are the key properties of 5-amino-N-(3-chloro-2-fluorophenyl)-3-fluoro-2-methylbenzenesulfonamide?
5-amino-N-(3-chloro-2-fluorophenyl)-3-fluoro-2-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-2-fluorophenyl)-3-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 79898910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).