(E)-N-(6-chloro-2-methyl-3-pyridinyl)-2-phenylethenesulfonamide

C14H13ClN2O2S — CID 107266757

IUPAC(E)-N-(6-chloro-2-methyl-3-pyridinyl)-2-phenylethenesulfonamide
SMILESCc1nc(Cl)ccc1NS(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C14H13ClN2O2S/c1-11-13(7-8-14(15)16-11)17-20(18,19)10-9-12-5-3-2-4-6-12/h2-10,17H,1H3/b10-9+
InChIKeyRWHNWSWLPWDCDV-MDZDMXLPSA-N
MW308.79 g/mol
LogP3.46
Rot. Bonds4

About (E)-N-(6-chloro-2-methyl-3-pyridinyl)-2-phenylethenesulfonamide

(E)-N-(6-chloro-2-methyl-3-pyridinyl)-2-phenylethenesulfonamide (PubChem CID 107266757) has the molecular formula C14H13ClN2O2S and a molecular weight of 308.79 g/mol. Its IUPAC name is (E)-N-(6-chloro-2-methyl-3-pyridinyl)-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-(6-chloro-2-methyl-3-pyridinyl)-2-phenylethenesulfonamide
PubChem CID107266757
Molecular FormulaC14H13ClN2O2S
Molecular Weight308.79 g/mol
Exact Mass308.04
IUPAC Name(E)-N-(6-chloro-2-methyl-3-pyridinyl)-2-phenylethenesulfonamide
SMILESCc1nc(Cl)ccc1NS(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C14H13ClN2O2S/c1-11-13(7-8-14(15)16-11)17-20(18,19)10-9-12-5-3-2-4-6-12/h2-10,17H,1H3/b10-9+
InChIKeyRWHNWSWLPWDCDV-MDZDMXLPSA-N
XLogP3.46
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-(6-chloro-2-methyl-3-pyridinyl)-2-phenylethenesulfonamide 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-(3-chloro-4-cyano-2-methylphenyl)-2-phenylethenesulfonamide
CID 68870191
(E)-2-phenyl-N-(2,3,4-trifluorophenyl)ethenesulfonamide
CID 26969723
N-(4-chloro-2-nitrophenyl)-2-phenylethenesulfonamide
CID 73447777
(E)-N-methyl-2-phenylethenesulfonamide
CID 2427246
(E)-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-phenylethenesulfonamide
CID 17419276
(E)-2-phenyl-N-[2-(trifluoromethoxy)phenyl]ethenesulfonamide
CID 25335043
(E)-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]-2-phenylethenesulfonamide
CID 75533186
(E)-N-[4-(methanesulfonamido)phenyl]-2-phenylethenesulfonamide
CID 31073494
(E)-N-(4-methoxyphenyl)-2-phenylethenesulfonamide
CID 767425
(E)-N-(2-ethyl-6-methylphenyl)-2-phenylethenesulfonamide
CID 26952385
N-(5-methyl-1,3-thiazol-2-yl)-2-phenylethenesulfonamide
CID 78787059
N-(5-methyl-1H-pyrazol-3-yl)-2-phenylethenesulfonamide
CID 78952322

Frequently Asked Questions

What is the IUPAC name of (E)-N-(6-chloro-2-methyl-3-pyridinyl)-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-(6-chloro-2-methyl-3-pyridinyl)-2-phenylethenesulfonamide (CID 107266757) is (E)-N-(6-chloro-2-methyl-3-pyridinyl)-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-(6-chloro-2-methyl-3-pyridinyl)-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-(6-chloro-2-methyl-3-pyridinyl)-2-phenylethenesulfonamide is Cc1nc(Cl)ccc1NS(=O)(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-(6-chloro-2-methyl-3-pyridinyl)-2-phenylethenesulfonamide?
The InChIKey is RWHNWSWLPWDCDV-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H13ClN2O2S/c1-11-13(7-8-14(15)16-11)17-20(18,19)10-9-12-5-3-2-4-6-12/h2-10,17H,1H3/b10-9+.
What are the key properties of (E)-N-(6-chloro-2-methyl-3-pyridinyl)-2-phenylethenesulfonamide?
(E)-N-(6-chloro-2-methyl-3-pyridinyl)-2-phenylethenesulfonamide has a molecular weight of 308.79 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(6-chloro-2-methyl-3-pyridinyl)-2-phenylethenesulfonamide is sourced from PubChem (CID 107266757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).