2-chloro-N-(1-phenylpropyl)pyridine-3-sulfonamide

C14H15ClN2O2S — CID 62304203

IUPAC2-chloro-N-(1-phenylpropyl)pyridine-3-sulfonamide
SMILESCCC(NS(=O)(=O)c1cccnc1Cl)c1ccccc1
InChIInChI=1S/C14H15ClN2O2S/c1-2-12(11-7-4-3-5-8-11)17-20(18,19)13-9-6-10-16-14(13)15/h3-10,12,17H,2H2,1H3
InChIKeyCRROZGFMVSZLCT-UHFFFAOYSA-N
MW310.81 g/mol
LogP3.16
Rot. Bonds5

About 2-chloro-N-(1-phenylpropyl)pyridine-3-sulfonamide

2-chloro-N-(1-phenylpropyl)pyridine-3-sulfonamide (PubChem CID 62304203) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is 2-chloro-N-(1-phenylpropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(1-phenylpropyl)pyridine-3-sulfonamide
PubChem CID62304203
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name2-chloro-N-(1-phenylpropyl)pyridine-3-sulfonamide
SMILESCCC(NS(=O)(=O)c1cccnc1Cl)c1ccccc1
InChIInChI=1S/C14H15ClN2O2S/c1-2-12(11-7-4-3-5-8-11)17-20(18,19)13-9-6-10-16-14(13)15/h3-10,12,17H,2H2,1H3
InChIKeyCRROZGFMVSZLCT-UHFFFAOYSA-N
XLogP3.16
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 53.16
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-(3-methylpentan-2-yl)pyridine-3-sulfonamide
CID 54950252
2-chloro-N-(1-hydroxybutan-2-yl)pyridine-3-sulfonamide
CID 61052282
N-[(1S)-1-phenylpropyl]methanesulfonamide
CID 11321835
N-[1-(4-chlorophenyl)propyl]-2-fluorobenzenesulfonamide
CID 60709307
2-chloro-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide
CID 43456724
(2S)-2-[(2-chloro-3-pyridinyl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 61142213
2-chloro-N-[(1R)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]pyridine-3-sulfonamide
CID 99846943
2-amino-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-3-sulfonamide
CID 107862017
2-[(2-chloro-3-pyridinyl)sulfonylamino]-N-propylpropanamide
CID 60716062
N-(1-phenylpropyl)-1H-pyrazole-5-sulfonamide
CID 102692933
2-chloro-N-(4-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide
CID 115641407
2-chloro-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-sulfonamide
CID 61046080

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-phenylpropyl)pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-(1-phenylpropyl)pyridine-3-sulfonamide (CID 62304203) is 2-chloro-N-(1-phenylpropyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-(1-phenylpropyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-(1-phenylpropyl)pyridine-3-sulfonamide is CCC(NS(=O)(=O)c1cccnc1Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-(1-phenylpropyl)pyridine-3-sulfonamide?
The InChIKey is CRROZGFMVSZLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-2-12(11-7-4-3-5-8-11)17-20(18,19)13-9-6-10-16-14(13)15/h3-10,12,17H,2H2,1H3.
What are the key properties of 2-chloro-N-(1-phenylpropyl)pyridine-3-sulfonamide?
2-chloro-N-(1-phenylpropyl)pyridine-3-sulfonamide has a molecular weight of 310.81 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-phenylpropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 62304203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).