2-amino-N-[1-(4-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide

C14H14ClFN2O2S — CID 61106700

IUPAC2-amino-N-[1-(4-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(F)ccc1N)c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClFN2O2S/c1-9(10-2-4-11(15)5-3-10)18-21(19,20)14-8-12(16)6-7-13(14)17/h2-9,18H,17H2,1H3
InChIKeyJWRQPZRFIXSYMP-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.10
Rot. Bonds4

About 2-amino-N-[1-(4-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide

2-amino-N-[1-(4-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide (PubChem CID 61106700) has the molecular formula C14H14ClFN2O2S and a molecular weight of 328.80 g/mol. Its IUPAC name is 2-amino-N-[1-(4-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-[1-(4-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide
PubChem CID61106700
Molecular FormulaC14H14ClFN2O2S
Molecular Weight328.80 g/mol
Exact Mass328.04
IUPAC Name2-amino-N-[1-(4-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(F)ccc1N)c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClFN2O2S/c1-9(10-2-4-11(15)5-3-10)18-21(19,20)14-8-12(16)6-7-13(14)17/h2-9,18H,17H2,1H3
InChIKeyJWRQPZRFIXSYMP-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

N-[1-(4-chlorophenyl)ethyl]-2,4-difluorobenzenesulfonamide
CID 3816054
2-amino-N-[1-(2-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide
CID 61105978
2-amino-4-fluoro-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 61126468
2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 107869105
2-amino-5-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 93398317
4-amino-N-[1-(4-chlorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 61105766
2-amino-5-chloro-N-propan-2-ylbenzenesulfonamide
CID 60985820
N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzenesulfonamide
CID 3463854
4-amino-2-bromo-N-[1-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 61105575
N-[1-(4-tert-butylphenyl)ethyl]-2,4-difluorobenzenesulfonamide
CID 22772322
2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-5-fluorobenzamide
CID 81354408
2-[(2-amino-5-fluorophenyl)sulfonylamino]-N-methylpropanamide
CID 54950967

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide?
The IUPAC name of 2-amino-N-[1-(4-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide (CID 61106700) is 2-amino-N-[1-(4-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-[1-(4-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide?
The canonical SMILES for 2-amino-N-[1-(4-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide is CC(NS(=O)(=O)c1cc(F)ccc1N)c1ccc(Cl)cc1.
What is the InChIKey of 2-amino-N-[1-(4-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide?
The InChIKey is JWRQPZRFIXSYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O2S/c1-9(10-2-4-11(15)5-3-10)18-21(19,20)14-8-12(16)6-7-13(14)17/h2-9,18H,17H2,1H3.
What are the key properties of 2-amino-N-[1-(4-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide?
2-amino-N-[1-(4-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-(4-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide is sourced from PubChem (CID 61106700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).