2-chloro-N-(2-methylsulfinylpropyl)pyridine-3-sulfonamide

C9H13ClN2O3S2 — CID 115763694

IUPAC2-chloro-N-(2-methylsulfinylpropyl)pyridine-3-sulfonamide
SMILESCC(CNS(=O)(=O)c1cccnc1Cl)S(C)=O
InChIInChI=1S/C9H13ClN2O3S2/c1-7(16(2)13)6-12-17(14,15)8-4-3-5-11-9(8)10/h3-5,7,12H,6H2,1-2H3
InChIKeyMIWCOEOIQAUESK-UHFFFAOYSA-N
MW296.80 g/mol
LogP0.78
Rot. Bonds5

About 2-chloro-N-(2-methylsulfinylpropyl)pyridine-3-sulfonamide

2-chloro-N-(2-methylsulfinylpropyl)pyridine-3-sulfonamide (PubChem CID 115763694) has the molecular formula C9H13ClN2O3S2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-chloro-N-(2-methylsulfinylpropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-methylsulfinylpropyl)pyridine-3-sulfonamide
PubChem CID115763694
Molecular FormulaC9H13ClN2O3S2
Molecular Weight296.80 g/mol
Exact Mass296.01
IUPAC Name2-chloro-N-(2-methylsulfinylpropyl)pyridine-3-sulfonamide
SMILESCC(CNS(=O)(=O)c1cccnc1Cl)S(C)=O
InChIInChI=1S/C9H13ClN2O3S2/c1-7(16(2)13)6-12-17(14,15)8-4-3-5-11-9(8)10/h3-5,7,12H,6H2,1-2H3
InChIKeyMIWCOEOIQAUESK-UHFFFAOYSA-N
XLogP0.78
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(2R)-2-hydroxypropyl]pyridine-3-sulfonamide
CID 103883843
2-chloro-N-(2-ethoxypropyl)pyridine-3-sulfonamide
CID 115650670
2-chloro-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide
CID 102609400
2-fluoro-N-(2-methylsulfinylpropyl)benzenesulfonamide
CID 115763664
2-chloro-N-(4-methylpentyl)pyridine-3-sulfonamide
CID 61046913
2-chloro-N-[2-(dimethylamino)-3-ethylpentyl]pyridine-3-sulfonamide
CID 61250168
2-chloro-N-(4-propan-2-ylphenyl)pyridine-3-sulfonamide
CID 43388271
2-chloro-N-(3-methylpentan-2-yl)pyridine-3-sulfonamide
CID 54950252
2-chloro-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-sulfonamide
CID 61046080
2-chloro-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide
CID 43456724
2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-3-sulfonamide
CID 104600318
2-chloro-N-[(2-methoxyphenyl)methyl]pyridine-3-sulfonamide
CID 43414928

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methylsulfinylpropyl)pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-(2-methylsulfinylpropyl)pyridine-3-sulfonamide (CID 115763694) is 2-chloro-N-(2-methylsulfinylpropyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2-methylsulfinylpropyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-(2-methylsulfinylpropyl)pyridine-3-sulfonamide is CC(CNS(=O)(=O)c1cccnc1Cl)S(C)=O.
What is the InChIKey of 2-chloro-N-(2-methylsulfinylpropyl)pyridine-3-sulfonamide?
The InChIKey is MIWCOEOIQAUESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O3S2/c1-7(16(2)13)6-12-17(14,15)8-4-3-5-11-9(8)10/h3-5,7,12H,6H2,1-2H3.
What are the key properties of 2-chloro-N-(2-methylsulfinylpropyl)pyridine-3-sulfonamide?
2-chloro-N-(2-methylsulfinylpropyl)pyridine-3-sulfonamide has a molecular weight of 296.80 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methylsulfinylpropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 115763694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).