4-amino-2-chloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide

C13H12ClFN2O2S — CID 28525638

IUPAC4-amino-2-chloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCc2ccccc2F)c(Cl)c1
InChIInChI=1S/C13H12ClFN2O2S/c14-11-7-10(16)5-6-13(11)20(18,19)17-8-9-3-1-2-4-12(9)15/h1-7,17H,8,16H2
InChIKeyCZPOMGUQKVPELJ-UHFFFAOYSA-N
MW314.77 g/mol
LogP2.54
Rot. Bonds4

About 4-amino-2-chloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide

4-amino-2-chloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide (PubChem CID 28525638) has the molecular formula C13H12ClFN2O2S and a molecular weight of 314.77 g/mol. Its IUPAC name is 4-amino-2-chloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
PubChem CID28525638
Molecular FormulaC13H12ClFN2O2S
Molecular Weight314.77 g/mol
Exact Mass314.03
IUPAC Name4-amino-2-chloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCc2ccccc2F)c(Cl)c1
InChIInChI=1S/C13H12ClFN2O2S/c14-11-7-10(16)5-6-13(11)20(18,19)17-8-9-3-1-2-4-12(9)15/h1-7,17H,8,16H2
InChIKeyCZPOMGUQKVPELJ-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
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

2-amino-5-chloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 60986102
2,5-dichloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 4858598
2,4-dichloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 125467959
5-amino-N-[(2-chlorophenyl)methyl]-2,4-difluorobenzenesulfonamide
CID 28537421
N-[(2-bromophenyl)methyl]-2-chloro-4-fluorobenzenesulfonamide
CID 3673714
4-amino-2-chloro-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114954417
5-(aminomethyl)-2-fluoro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 28716292
4-amino-2-bromo-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 43256455
2-chloro-5-[(2-fluorophenyl)methylsulfamoyl]benzoic acid
CID 45411146
4-amino-2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 106033797
N-[[2-(aminomethyl)phenyl]methyl]-4-bromo-2-chlorobenzenesulfonamide
CID 62949907
N-[(2-aminophenyl)methyl]-2-chloro-5-fluorobenzenesulfonamide
CID 105399556

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-amino-2-chloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide (CID 28525638) is 4-amino-2-chloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-2-chloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-amino-2-chloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide is Nc1ccc(S(=O)(=O)NCc2ccccc2F)c(Cl)c1.
What is the InChIKey of 4-amino-2-chloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide?
The InChIKey is CZPOMGUQKVPELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O2S/c14-11-7-10(16)5-6-13(11)20(18,19)17-8-9-3-1-2-4-12(9)15/h1-7,17H,8,16H2.
What are the key properties of 4-amino-2-chloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide?
4-amino-2-chloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide has a molecular weight of 314.77 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 28525638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).