2-amino-4-chloro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide

C14H14ClFN2O2S — CID 61107213

IUPAC2-amino-4-chloro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Cl)cc1N)c1ccccc1F
InChIInChI=1S/C14H14ClFN2O2S/c1-9(11-4-2-3-5-12(11)16)18-21(19,20)14-7-6-10(15)8-13(14)17/h2-9,18H,17H2,1H3
InChIKeyLIQUUXWLRICSBW-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.10
Rot. Bonds4

About 2-amino-4-chloro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide

2-amino-4-chloro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide (PubChem CID 61107213) has the molecular formula C14H14ClFN2O2S and a molecular weight of 328.80 g/mol. Its IUPAC name is 2-amino-4-chloro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
PubChem CID61107213
Molecular FormulaC14H14ClFN2O2S
Molecular Weight328.80 g/mol
Exact Mass328.04
IUPAC Name2-amino-4-chloro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Cl)cc1N)c1ccccc1F
InChIInChI=1S/C14H14ClFN2O2S/c1-9(11-4-2-3-5-12(11)16)18-21(19,20)14-7-6-10(15)8-13(14)17/h2-9,18H,17H2,1H3
InChIKeyLIQUUXWLRICSBW-UHFFFAOYSA-N
XLogP3.10
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.10
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

4-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 82845290
2-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 62057730
4-bromo-2-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 32943683
2-amino-5-chloro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 61105076
2-amino-N-[1-(2-fluorophenyl)ethyl]pyrimidine-5-sulfonamide
CID 62156754
5,6-dichloro-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide
CID 64608562
2-bromo-4-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 61073267
3-amino-N-[1-(2-fluorophenyl)ethyl]-5-methylbenzenesulfonamide
CID 61107588
2-amino-N-[1-(2-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide
CID 61105978
2-amino-5-bromo-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide
CID 62156932
2-amino-N-but-3-yn-2-yl-4-chlorobenzenesulfonamide
CID 114414759
2-amino-4-chloro-N-pentan-2-ylbenzenesulfonamide
CID 43107543

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide?
The IUPAC name of 2-amino-4-chloro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide (CID 61107213) is 2-amino-4-chloro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-4-chloro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-amino-4-chloro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide is CC(NS(=O)(=O)c1ccc(Cl)cc1N)c1ccccc1F.
What is the InChIKey of 2-amino-4-chloro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide?
The InChIKey is LIQUUXWLRICSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O2S/c1-9(11-4-2-3-5-12(11)16)18-21(19,20)14-7-6-10(15)8-13(14)17/h2-9,18H,17H2,1H3.
What are the key properties of 2-amino-4-chloro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide?
2-amino-4-chloro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide has a molecular weight of 328.80 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 61107213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).