N-(6-chloro-3-pyridinyl)-2-phenylpropane-1-sulfonamide

C14H15ClN2O2S — CID 103798273

IUPACN-(6-chloro-3-pyridinyl)-2-phenylpropane-1-sulfonamide
SMILESCC(CS(=O)(=O)Nc1ccc(Cl)nc1)c1ccccc1
InChIInChI=1S/C14H15ClN2O2S/c1-11(12-5-3-2-4-6-12)10-20(18,19)17-13-7-8-14(15)16-9-13/h2-9,11,17H,10H2,1H3
InChIKeyAXOIWWFBAOPEKI-UHFFFAOYSA-N
MW310.81 g/mol
LogP3.28
Rot. Bonds5

About N-(6-chloro-3-pyridinyl)-2-phenylpropane-1-sulfonamide

N-(6-chloro-3-pyridinyl)-2-phenylpropane-1-sulfonamide (PubChem CID 103798273) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-2-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-2-phenylpropane-1-sulfonamide
PubChem CID103798273
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC NameN-(6-chloro-3-pyridinyl)-2-phenylpropane-1-sulfonamide
SMILESCC(CS(=O)(=O)Nc1ccc(Cl)nc1)c1ccccc1
InChIInChI=1S/C14H15ClN2O2S/c1-11(12-5-3-2-4-6-12)10-20(18,19)17-13-7-8-14(15)16-9-13/h2-9,11,17H,10H2,1H3
InChIKeyAXOIWWFBAOPEKI-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(6-chloro-3-pyridinyl)-2-phenylpropane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-aminophenyl)-2-phenylpropane-1-sulfonamide
CID 80685946
N-(6-chloro-3-pyridinyl)propane-2-sulfonamide
CID 57157565
N-(3-bromo-4-methylphenyl)-2-phenylpropane-1-sulfonamide
CID 80691145
N-(6-chloro-3-pyridinyl)butane-1-sulfonamide
CID 107095360
N-(6-chloro-3-pyridinyl)-2-methylbenzenesulfonamide
CID 66545246
N-methyl-N-[4-[[(2R)-2-phenylpropyl]sulfonylamino]phenyl]acetamide
CID 97070621
N-[3-(bromomethyl)phenyl]-2-phenylpropane-1-sulfonamide
CID 114298896
2-methyl-5-[[(2R)-2-phenylpropyl]sulfonylamino]benzamide
CID 97070624
N-(2-bromo-5-chlorophenyl)-2-phenylpropane-1-sulfonamide
CID 81260767
5-(2-phenylpropylsulfonylamino)-1H-pyrazole-4-carbothioamide
CID 80690289
(2S)-2-phenylpropane-1-sulfonyl chloride
CID 98112212
N-(6-phenyl-3-pyridinyl)ethanesulfonamide
CID 110634770

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-pyridinyl)-2-phenylpropane-1-sulfonamide?
The IUPAC name of N-(6-chloro-3-pyridinyl)-2-phenylpropane-1-sulfonamide (CID 103798273) is N-(6-chloro-3-pyridinyl)-2-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-2-phenylpropane-1-sulfonamide?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-2-phenylpropane-1-sulfonamide is CC(CS(=O)(=O)Nc1ccc(Cl)nc1)c1ccccc1.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-2-phenylpropane-1-sulfonamide?
The InChIKey is AXOIWWFBAOPEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-11(12-5-3-2-4-6-12)10-20(18,19)17-13-7-8-14(15)16-9-13/h2-9,11,17H,10H2,1H3.
What are the key properties of N-(6-chloro-3-pyridinyl)-2-phenylpropane-1-sulfonamide?
N-(6-chloro-3-pyridinyl)-2-phenylpropane-1-sulfonamide has a molecular weight of 310.81 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridinyl)-2-phenylpropane-1-sulfonamide is sourced from PubChem (CID 103798273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).