4-(aminomethyl)-N-(5-chloro-2-fluorophenyl)benzenesulfonamide

C13H12ClFN2O2S — CID 60822640

IUPAC4-(aminomethyl)-N-(5-chloro-2-fluorophenyl)benzenesulfonamide
SMILESNCc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2F)cc1
InChIInChI=1S/C13H12ClFN2O2S/c14-10-3-6-12(15)13(7-10)17-20(18,19)11-4-1-9(8-16)2-5-11/h1-7,17H,8,16H2
InChIKeyLMWFNPKOFUBLBU-UHFFFAOYSA-N
MW314.77 g/mol
LogP2.74
Rot. Bonds4

About 4-(aminomethyl)-N-(5-chloro-2-fluorophenyl)benzenesulfonamide

4-(aminomethyl)-N-(5-chloro-2-fluorophenyl)benzenesulfonamide (PubChem CID 60822640) has the molecular formula C13H12ClFN2O2S and a molecular weight of 314.77 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(5-chloro-2-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(5-chloro-2-fluorophenyl)benzenesulfonamide
PubChem CID60822640
Molecular FormulaC13H12ClFN2O2S
Molecular Weight314.77 g/mol
Exact Mass314.03
IUPAC Name4-(aminomethyl)-N-(5-chloro-2-fluorophenyl)benzenesulfonamide
SMILESNCc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2F)cc1
InChIInChI=1S/C13H12ClFN2O2S/c14-10-3-6-12(15)13(7-10)17-20(18,19)11-4-1-9(8-16)2-5-11/h1-7,17H,8,16H2
InChIKeyLMWFNPKOFUBLBU-UHFFFAOYSA-N
XLogP2.74
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(aminomethyl)-N-(5-chloro-2-fluorophenyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-amino-2-fluorophenyl)-4-ethylbenzenesulfonamide
CID 43604941
5-(aminomethyl)-N-(5-chloro-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 28716515
N-(2-amino-5-chlorophenyl)-3,4-difluorobenzenesulfonamide
CID 43343902
4-ethyl-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
CID 7516558
N-(5-chloro-2-fluorophenyl)-4-fluoro-3-nitrobenzenesulfonamide
CID 4793013
2-(aminomethyl)-N-(5-chloro-2-fluorophenyl)thiophene-3-sulfonamide
CID 106030355
4-chloro-1-fluoro-2-(sulfamoylamino)benzene
CID 112573776
N-[[4-(aminomethyl)phenyl]methyl]-4-chlorobenzenesulfonamide
CID 81089757
4-(aminomethyl)-N-(2,5-dibromophenyl)benzenesulfonamide
CID 61468511
3-chloro-N-(2,5-difluorophenyl)benzenesulfonamide
CID 8500608
5-(aminomethyl)-2-bromo-N-(5-chloro-2-fluorophenyl)furan-3-sulfonamide
CID 106030356
N-(5-amino-2-fluorophenyl)-4-(cyanomethyl)benzenesulfonamide
CID 79185246

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(5-chloro-2-fluorophenyl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(5-chloro-2-fluorophenyl)benzenesulfonamide (CID 60822640) is 4-(aminomethyl)-N-(5-chloro-2-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(5-chloro-2-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(5-chloro-2-fluorophenyl)benzenesulfonamide is NCc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2F)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(5-chloro-2-fluorophenyl)benzenesulfonamide?
The InChIKey is LMWFNPKOFUBLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O2S/c14-10-3-6-12(15)13(7-10)17-20(18,19)11-4-1-9(8-16)2-5-11/h1-7,17H,8,16H2.
What are the key properties of 4-(aminomethyl)-N-(5-chloro-2-fluorophenyl)benzenesulfonamide?
4-(aminomethyl)-N-(5-chloro-2-fluorophenyl)benzenesulfonamide has a molecular weight of 314.77 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(5-chloro-2-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 60822640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).