2-amino-N-[1-(2-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide

C14H14ClFN2O2S — CID 61105978

IUPAC2-amino-N-[1-(2-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(F)ccc1N)c1ccccc1Cl
InChIInChI=1S/C14H14ClFN2O2S/c1-9(11-4-2-3-5-12(11)15)18-21(19,20)14-8-10(16)6-7-13(14)17/h2-9,18H,17H2,1H3
InChIKeyORLNKLGQUZQVCX-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.10
Rot. Bonds4

About 2-amino-N-[1-(2-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide

2-amino-N-[1-(2-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide (PubChem CID 61105978) has the molecular formula C14H14ClFN2O2S and a molecular weight of 328.80 g/mol. Its IUPAC name is 2-amino-N-[1-(2-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-[1-(2-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide
PubChem CID61105978
Molecular FormulaC14H14ClFN2O2S
Molecular Weight328.80 g/mol
Exact Mass328.04
IUPAC Name2-amino-N-[1-(2-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(F)ccc1N)c1ccccc1Cl
InChIInChI=1S/C14H14ClFN2O2S/c1-9(11-4-2-3-5-12(11)15)18-21(19,20)14-8-10(16)6-7-13(14)17/h2-9,18H,17H2,1H3
InChIKeyORLNKLGQUZQVCX-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

2-amino-N-[1-(4-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide
CID 61106700
2-amino-5-chloro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 61105076
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 81378158
2-amino-4-chloro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 61107213
2-amino-5-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 93398317
3-amino-N-[1-(2-chlorophenyl)ethyl]benzenesulfonamide
CID 61106720
N-[(1S)-1-(2-chlorophenyl)ethyl]benzenesulfonamide
CID 31391944
N-[1-(2-chlorophenyl)ethyl]benzenesulfonamide
CID 42999040
2-amino-5-bromo-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide
CID 61110850
N-[(1R)-1-(2-chloro-4-fluorophenyl)ethyl]methanesulfonamide
CID 95632056
N-[1-(2-aminophenyl)ethyl]-3-fluorobenzenesulfonamide
CID 43298053
2-[(2-amino-5-fluorophenyl)sulfonylamino]-N-methylpropanamide
CID 54950967

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide?
The IUPAC name of 2-amino-N-[1-(2-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide (CID 61105978) is 2-amino-N-[1-(2-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-[1-(2-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide?
The canonical SMILES for 2-amino-N-[1-(2-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide is CC(NS(=O)(=O)c1cc(F)ccc1N)c1ccccc1Cl.
What is the InChIKey of 2-amino-N-[1-(2-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide?
The InChIKey is ORLNKLGQUZQVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O2S/c1-9(11-4-2-3-5-12(11)15)18-21(19,20)14-8-10(16)6-7-13(14)17/h2-9,18H,17H2,1H3.
What are the key properties of 2-amino-N-[1-(2-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide?
2-amino-N-[1-(2-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide 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-N-[1-(2-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide is sourced from PubChem (CID 61105978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).