2-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide

C9H13ClN2O2S2 — CID 112698550

IUPAC2-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide
SMILESCSCCN(C)S(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C9H13ClN2O2S2/c1-12(6-7-15-2)16(13,14)8-4-3-5-11-9(8)10/h3-5H,6-7H2,1-2H3
InChIKeyDBUUHDYYTBMDRY-UHFFFAOYSA-N
MW280.80 g/mol
LogP1.72
Rot. Bonds5

About 2-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide

2-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide (PubChem CID 112698550) has the molecular formula C9H13ClN2O2S2 and a molecular weight of 280.80 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide
PubChem CID112698550
Molecular FormulaC9H13ClN2O2S2
Molecular Weight280.80 g/mol
Exact Mass280.01
IUPAC Name2-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide
SMILESCSCCN(C)S(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C9H13ClN2O2S2/c1-12(6-7-15-2)16(13,14)8-4-3-5-11-9(8)10/h3-5H,6-7H2,1-2H3
InChIKeyDBUUHDYYTBMDRY-UHFFFAOYSA-N
XLogP1.72
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 51.72
H-Bond Donors ≤ 50
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-methyl-N-pentylpyridine-3-sulfonamide
CID 43456976
4-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]butanoic acid
CID 43422935
2-chloro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]pyridine-3-sulfonamide
CID 61052637
2-chloro-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide
CID 43564507
methyl 4-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]butanoate
CID 61047612
2-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112667071
2-chloro-N-[(3,5-dichlorophenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 61047622
N-methyl-N-(2-methylsulfanylethyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103306973
3-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoic acid
CID 55008419
2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 61052630
2-chloro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-sulfonamide
CID 64517471
2-hydrazinyl-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112661404

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide (CID 112698550) is 2-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide is CSCCN(C)S(=O)(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide?
The InChIKey is DBUUHDYYTBMDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2S2/c1-12(6-7-15-2)16(13,14)8-4-3-5-11-9(8)10/h3-5H,6-7H2,1-2H3.
What are the key properties of 2-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide?
2-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide has a molecular weight of 280.80 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 112698550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).