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

C13H12ClFN2O2S — CID 43604944

IUPACN-(5-amino-2-fluorophenyl)-5-chloro-2-methylbenzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C13H12ClFN2O2S/c1-8-2-3-9(14)6-13(8)20(18,19)17-12-7-10(16)4-5-11(12)15/h2-7,17H,16H2,1H3
InChIKeyXEXLXTQCARVOBL-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.17
Rot. Bonds3

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

N-(5-amino-2-fluorophenyl)-5-chloro-2-methylbenzenesulfonamide (PubChem CID 43604944) has the molecular formula C13H12ClFN2O2S and a molecular weight of 314.77 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-5-chloro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-5-chloro-2-methylbenzenesulfonamide
PubChem CID43604944
Molecular FormulaC13H12ClFN2O2S
Molecular Weight314.77 g/mol
Exact Mass314.03
IUPAC NameN-(5-amino-2-fluorophenyl)-5-chloro-2-methylbenzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C13H12ClFN2O2S/c1-8-2-3-9(14)6-13(8)20(18,19)17-12-7-10(16)4-5-11(12)15/h2-7,17H,16H2,1H3
InChIKeyXEXLXTQCARVOBL-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-(5-amino-2-fluorophenyl)-4-chloro-2-methylbenzenesulfonamide
CID 43604953
N-(5-amino-2-fluorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43344317
5-amino-N-(5-chloro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 28537891
5-chloro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 38888748
5-chloro-N-(3-chloro-2-fluorophenyl)-2-methylbenzenesulfonamide
CID 38890087
N-(5-amino-2-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399424
N-(5-amino-2-fluorophenyl)-5-chloro-4-methylthiophene-2-sulfonamide
CID 103099479
4-amino-2-chloro-N-(2,5-difluoro-4-methylphenyl)benzenesulfonamide
CID 103584428
5-amino-2-chloro-N-(2,5-difluoro-4-methylphenyl)benzenesulfonamide
CID 103584427
N-(5-amino-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 16773575
5-amino-2-chloro-N-(2,5-difluorophenyl)benzenesulfonamide
CID 29275941
N-(5-amino-2-fluorophenyl)-3-chloro-4-fluorobenzenesulfonamide
CID 43604966

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-5-chloro-2-methylbenzenesulfonamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-5-chloro-2-methylbenzenesulfonamide (CID 43604944) is N-(5-amino-2-fluorophenyl)-5-chloro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-5-chloro-2-methylbenzenesulfonamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-5-chloro-2-methylbenzenesulfonamide is Cc1ccc(Cl)cc1S(=O)(=O)Nc1cc(N)ccc1F.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-5-chloro-2-methylbenzenesulfonamide?
The InChIKey is XEXLXTQCARVOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O2S/c1-8-2-3-9(14)6-13(8)20(18,19)17-12-7-10(16)4-5-11(12)15/h2-7,17H,16H2,1H3.
What are the key properties of N-(5-amino-2-fluorophenyl)-5-chloro-2-methylbenzenesulfonamide?
N-(5-amino-2-fluorophenyl)-5-chloro-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-(5-amino-2-fluorophenyl)-5-chloro-2-methylbenzenesulfonamide is sourced from PubChem (CID 43604944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).