N-(2-amino-6-chlorophenyl)-4-fluoro-2-methylbenzenesulfonamide

C13H12ClFN2O2S — CID 62086054

IUPACN-(2-amino-6-chlorophenyl)-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1c(N)cccc1Cl
InChIInChI=1S/C13H12ClFN2O2S/c1-8-7-9(15)5-6-12(8)20(18,19)17-13-10(14)3-2-4-11(13)16/h2-7,17H,16H2,1H3
InChIKeyXHTFJEFNLAJRPM-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.17
Rot. Bonds3

About N-(2-amino-6-chlorophenyl)-4-fluoro-2-methylbenzenesulfonamide

N-(2-amino-6-chlorophenyl)-4-fluoro-2-methylbenzenesulfonamide (PubChem CID 62086054) has the molecular formula C13H12ClFN2O2S and a molecular weight of 314.77 g/mol. Its IUPAC name is N-(2-amino-6-chlorophenyl)-4-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-6-chlorophenyl)-4-fluoro-2-methylbenzenesulfonamide
PubChem CID62086054
Molecular FormulaC13H12ClFN2O2S
Molecular Weight314.77 g/mol
Exact Mass314.03
IUPAC NameN-(2-amino-6-chlorophenyl)-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1c(N)cccc1Cl
InChIInChI=1S/C13H12ClFN2O2S/c1-8-7-9(15)5-6-12(8)20(18,19)17-13-10(14)3-2-4-11(13)16/h2-7,17H,16H2,1H3
InChIKeyXHTFJEFNLAJRPM-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-(2-chlorophenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 47148910
2-amino-N-(2,6-dimethylphenyl)-4-fluorobenzenesulfonamide
CID 30049967
N-(5-amino-2-bromo-4-methylphenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 104814659
N-(2-amino-6-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 62086051
5-amino-2-bromo-N-(2-chloro-6-methylphenyl)-4-fluorobenzenesulfonamide
CID 66252214
4-fluoro-2-methyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756676
N-(2-amino-4,5-dimethylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399559
1-amino-3-chloro-2-(sulfamoylamino)benzene
CID 114958705
4-amino-2-chloro-N-(2,6-dichlorophenyl)benzenesulfonamide
CID 65470012
4-fluoro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 24656227
N-(3-amino-2-methylphenyl)-4-chloro-2-methylbenzenesulfonamide
CID 43605104
N-(4-amino-3-methoxyphenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 43604990

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-chlorophenyl)-4-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-(2-amino-6-chlorophenyl)-4-fluoro-2-methylbenzenesulfonamide (CID 62086054) is N-(2-amino-6-chlorophenyl)-4-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-amino-6-chlorophenyl)-4-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-(2-amino-6-chlorophenyl)-4-fluoro-2-methylbenzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)Nc1c(N)cccc1Cl.
What is the InChIKey of N-(2-amino-6-chlorophenyl)-4-fluoro-2-methylbenzenesulfonamide?
The InChIKey is XHTFJEFNLAJRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O2S/c1-8-7-9(15)5-6-12(8)20(18,19)17-13-10(14)3-2-4-11(13)16/h2-7,17H,16H2,1H3.
What are the key properties of N-(2-amino-6-chlorophenyl)-4-fluoro-2-methylbenzenesulfonamide?
N-(2-amino-6-chlorophenyl)-4-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-(2-amino-6-chlorophenyl)-4-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 62086054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).