2-chloro-N-(4-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide

C10H15ClN2O2S2 — CID 115641407

IUPAC2-chloro-N-(4-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide
SMILESCSCCC(C)NS(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C10H15ClN2O2S2/c1-8(5-7-16-2)13-17(14,15)9-4-3-6-12-10(9)11/h3-4,6,8,13H,5,7H2,1-2H3
InChIKeyGKEAHJPQRVGNQF-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.15
Rot. Bonds6

About 2-chloro-N-(4-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide

2-chloro-N-(4-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide (PubChem CID 115641407) has the molecular formula C10H15ClN2O2S2 and a molecular weight of 294.83 g/mol. Its IUPAC name is 2-chloro-N-(4-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(4-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide
PubChem CID115641407
Molecular FormulaC10H15ClN2O2S2
Molecular Weight294.83 g/mol
Exact Mass294.03
IUPAC Name2-chloro-N-(4-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide
SMILESCSCCC(C)NS(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C10H15ClN2O2S2/c1-8(5-7-16-2)13-17(14,15)9-4-3-6-12-10(9)11/h3-4,6,8,13H,5,7H2,1-2H3
InChIKeyGKEAHJPQRVGNQF-UHFFFAOYSA-N
XLogP2.15
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.15
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-(methylamino)-N-(4-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide
CID 113478168
2-cyano-N-(4-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide
CID 106546133
2-chloro-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide
CID 43456724
2-chloro-N-(3-methylpentan-2-yl)pyridine-3-sulfonamide
CID 54950252
N-[(2-chloro-3-pyridinyl)methyl]-4-methylsulfanylbutan-2-amine
CID 115639950
2-chloro-N-(4-methylpentyl)pyridine-3-sulfonamide
CID 61046913
2-chloro-N-(1-phenylpropyl)pyridine-3-sulfonamide
CID 62304203
methyl (2S)-2-[(2-chloro-3-pyridinyl)sulfonylamino]propanoate
CID 61150966
2-chloro-N-(1-hydroxybutan-2-yl)pyridine-3-sulfonamide
CID 61052282
2-chloro-N-[(2R)-2-hydroxypropyl]pyridine-3-sulfonamide
CID 103883843
2-chloro-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide
CID 102609400
2-chloro-N-[1-(2,6-difluorophenyl)ethyl]pyridine-3-sulfonamide
CID 61041711

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-(4-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide (CID 115641407) is 2-chloro-N-(4-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-(4-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-(4-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide is CSCCC(C)NS(=O)(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(4-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide?
The InChIKey is GKEAHJPQRVGNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2S2/c1-8(5-7-16-2)13-17(14,15)9-4-3-6-12-10(9)11/h3-4,6,8,13H,5,7H2,1-2H3.
What are the key properties of 2-chloro-N-(4-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide?
2-chloro-N-(4-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide has a molecular weight of 294.83 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 115641407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).