2-chloro-N-(1-phenylbutyl)pyridine-4-sulfonamide

C15H17ClN2O2S — CID 61052003

IUPAC2-chloro-N-(1-phenylbutyl)pyridine-4-sulfonamide
SMILESCCCC(NS(=O)(=O)c1ccnc(Cl)c1)c1ccccc1
InChIInChI=1S/C15H17ClN2O2S/c1-2-6-14(12-7-4-3-5-8-12)18-21(19,20)13-9-10-17-15(16)11-13/h3-5,7-11,14,18H,2,6H2,1H3
InChIKeyPVJPKVRLDVYPTK-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.55
Rot. Bonds6

About 2-chloro-N-(1-phenylbutyl)pyridine-4-sulfonamide

2-chloro-N-(1-phenylbutyl)pyridine-4-sulfonamide (PubChem CID 61052003) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 2-chloro-N-(1-phenylbutyl)pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(1-phenylbutyl)pyridine-4-sulfonamide
PubChem CID61052003
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name2-chloro-N-(1-phenylbutyl)pyridine-4-sulfonamide
SMILESCCCC(NS(=O)(=O)c1ccnc(Cl)c1)c1ccccc1
InChIInChI=1S/C15H17ClN2O2S/c1-2-6-14(12-7-4-3-5-8-12)18-21(19,20)13-9-10-17-15(16)11-13/h3-5,7-11,14,18H,2,6H2,1H3
InChIKeyPVJPKVRLDVYPTK-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[1-(3-chlorophenyl)propyl]pyridine-4-sulfonamide
CID 61051592
2-chloro-N-octan-4-ylpyridine-4-sulfonamide
CID 114138590
2-(methylamino)-N-(1-phenylpropyl)pyridine-4-sulfonamide
CID 62304235
2-chloro-N-(3-methylpentan-2-yl)pyridine-4-sulfonamide
CID 54950253
2-chloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-4-sulfonamide
CID 107856823
2-chloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-4-sulfonamide
CID 61051398
2-chloro-N-[1-(2-chlorophenyl)propan-2-yl]pyridine-4-sulfonamide
CID 61053448
2-chloro-N-(1-pyridin-4-ylethyl)pyridine-4-sulfonamide
CID 54895920
2-chloro-N-(3,3-dimethylbutan-2-yl)pyridine-4-sulfonamide
CID 104828022
2-chloro-N-(1-methoxypropan-2-yl)pyridine-4-sulfonamide
CID 61004005
N-[(1R)-1-phenylpentyl]pyridine-2-sulfonamide
CID 101377427
3,4-dichloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103825631

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-phenylbutyl)pyridine-4-sulfonamide?
The IUPAC name of 2-chloro-N-(1-phenylbutyl)pyridine-4-sulfonamide (CID 61052003) is 2-chloro-N-(1-phenylbutyl)pyridine-4-sulfonamide.
What is the SMILES notation for 2-chloro-N-(1-phenylbutyl)pyridine-4-sulfonamide?
The canonical SMILES for 2-chloro-N-(1-phenylbutyl)pyridine-4-sulfonamide is CCCC(NS(=O)(=O)c1ccnc(Cl)c1)c1ccccc1.
What is the InChIKey of 2-chloro-N-(1-phenylbutyl)pyridine-4-sulfonamide?
The InChIKey is PVJPKVRLDVYPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-2-6-14(12-7-4-3-5-8-12)18-21(19,20)13-9-10-17-15(16)11-13/h3-5,7-11,14,18H,2,6H2,1H3.
What are the key properties of 2-chloro-N-(1-phenylbutyl)pyridine-4-sulfonamide?
2-chloro-N-(1-phenylbutyl)pyridine-4-sulfonamide has a molecular weight of 324.83 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-phenylbutyl)pyridine-4-sulfonamide is sourced from PubChem (CID 61052003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).