4-(2-chloroethyl)-N-[(1S)-1-pyridin-4-ylethyl]benzenesulfonamide

C15H17ClN2O2S — CID 107858759

IUPAC4-(2-chloroethyl)-N-[(1S)-1-pyridin-4-ylethyl]benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc(CCCl)cc1)c1ccncc1
InChIInChI=1S/C15H17ClN2O2S/c1-12(14-7-10-17-11-8-14)18-21(19,20)15-4-2-13(3-5-15)6-9-16/h2-5,7-8,10-12,18H,6,9H2,1H3/t12-/m0/s1
InChIKeyOPURGJKOVFJNHM-LBPRGKRZSA-N
MW324.83 g/mol
LogP2.90
Rot. Bonds6

About 4-(2-chloroethyl)-N-[(1S)-1-pyridin-4-ylethyl]benzenesulfonamide

4-(2-chloroethyl)-N-[(1S)-1-pyridin-4-ylethyl]benzenesulfonamide (PubChem CID 107858759) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 4-(2-chloroethyl)-N-[(1S)-1-pyridin-4-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2-chloroethyl)-N-[(1S)-1-pyridin-4-ylethyl]benzenesulfonamide
PubChem CID107858759
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name4-(2-chloroethyl)-N-[(1S)-1-pyridin-4-ylethyl]benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc(CCCl)cc1)c1ccncc1
InChIInChI=1S/C15H17ClN2O2S/c1-12(14-7-10-17-11-8-14)18-21(19,20)15-4-2-13(3-5-15)6-9-16/h2-5,7-8,10-12,18H,6,9H2,1H3/t12-/m0/s1
InChIKeyOPURGJKOVFJNHM-LBPRGKRZSA-N
XLogP2.90
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(2-chloroethyl)-N-[(1R)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 107858812
2-chloro-N-[(1S)-1-pyridin-4-ylethyl]ethanesulfonamide
CID 107858762
2-chloro-N-(1-pyridin-4-ylethyl)ethanesulfonamide
CID 107650505
3-[4-(1-phenylethylsulfamoyl)phenyl]-N-(pyridin-4-ylmethyl)propanamide
CID 18552568
N-[(1S)-1-phenylethyl]-4-propylbenzenesulfonamide
CID 2559624
2-chloro-N-(1-pyridin-4-ylethyl)pyridine-4-sulfonamide
CID 54895920
4-(2-methylpropyl)-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide
CID 22204673
4-fluoro-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide
CID 22204665
4-chloro-N-[1-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 22200952
4-(bromomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 107858568
4-chloro-N-(1-pyridin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 17452020
4-(2-methylpropyl)-N-(1-phenylethyl)benzenesulfonamide
CID 19680813

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethyl)-N-[(1S)-1-pyridin-4-ylethyl]benzenesulfonamide?
The IUPAC name of 4-(2-chloroethyl)-N-[(1S)-1-pyridin-4-ylethyl]benzenesulfonamide (CID 107858759) is 4-(2-chloroethyl)-N-[(1S)-1-pyridin-4-ylethyl]benzenesulfonamide.
What is the SMILES notation for 4-(2-chloroethyl)-N-[(1S)-1-pyridin-4-ylethyl]benzenesulfonamide?
The canonical SMILES for 4-(2-chloroethyl)-N-[(1S)-1-pyridin-4-ylethyl]benzenesulfonamide is C[C@H](NS(=O)(=O)c1ccc(CCCl)cc1)c1ccncc1.
What is the InChIKey of 4-(2-chloroethyl)-N-[(1S)-1-pyridin-4-ylethyl]benzenesulfonamide?
The InChIKey is OPURGJKOVFJNHM-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-12(14-7-10-17-11-8-14)18-21(19,20)15-4-2-13(3-5-15)6-9-16/h2-5,7-8,10-12,18H,6,9H2,1H3/t12-/m0/s1.
What are the key properties of 4-(2-chloroethyl)-N-[(1S)-1-pyridin-4-ylethyl]benzenesulfonamide?
4-(2-chloroethyl)-N-[(1S)-1-pyridin-4-ylethyl]benzenesulfonamide has a molecular weight of 324.83 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethyl)-N-[(1S)-1-pyridin-4-ylethyl]benzenesulfonamide is sourced from PubChem (CID 107858759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).