5-chloro-6-(ethylamino)-N-(1-methylcyclohexyl)pyridine-3-sulfonamide

C14H22ClN3O2S — CID 64602451

IUPAC5-chloro-6-(ethylamino)-N-(1-methylcyclohexyl)pyridine-3-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)NC2(C)CCCCC2)cc1Cl
InChIInChI=1S/C14H22ClN3O2S/c1-3-16-13-12(15)9-11(10-17-13)21(19,20)18-14(2)7-5-4-6-8-14/h9-10,18H,3-8H2,1-2H3,(H,16,17)
InChIKeyPUIJJQGBCWOAHS-UHFFFAOYSA-N
MW331.87 g/mol
LogP3.17
Rot. Bonds5

About 5-chloro-6-(ethylamino)-N-(1-methylcyclohexyl)pyridine-3-sulfonamide

5-chloro-6-(ethylamino)-N-(1-methylcyclohexyl)pyridine-3-sulfonamide (PubChem CID 64602451) has the molecular formula C14H22ClN3O2S and a molecular weight of 331.87 g/mol. Its IUPAC name is 5-chloro-6-(ethylamino)-N-(1-methylcyclohexyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-6-(ethylamino)-N-(1-methylcyclohexyl)pyridine-3-sulfonamide
PubChem CID64602451
Molecular FormulaC14H22ClN3O2S
Molecular Weight331.87 g/mol
Exact Mass331.11
IUPAC Name5-chloro-6-(ethylamino)-N-(1-methylcyclohexyl)pyridine-3-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)NC2(C)CCCCC2)cc1Cl
InChIInChI=1S/C14H22ClN3O2S/c1-3-16-13-12(15)9-11(10-17-13)21(19,20)18-14(2)7-5-4-6-8-14/h9-10,18H,3-8H2,1-2H3,(H,16,17)
InChIKeyPUIJJQGBCWOAHS-UHFFFAOYSA-N
XLogP3.17
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(ethylamino)-N-(1-methylcyclohexyl)pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-6-(ethylamino)-N-(1-methylcyclohexyl)pyridine-3-sulfonamide (CID 64602451) is 5-chloro-6-(ethylamino)-N-(1-methylcyclohexyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-6-(ethylamino)-N-(1-methylcyclohexyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-6-(ethylamino)-N-(1-methylcyclohexyl)pyridine-3-sulfonamide is CCNc1ncc(S(=O)(=O)NC2(C)CCCCC2)cc1Cl.
What is the InChIKey of 5-chloro-6-(ethylamino)-N-(1-methylcyclohexyl)pyridine-3-sulfonamide?
The InChIKey is PUIJJQGBCWOAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2S/c1-3-16-13-12(15)9-11(10-17-13)21(19,20)18-14(2)7-5-4-6-8-14/h9-10,18H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 5-chloro-6-(ethylamino)-N-(1-methylcyclohexyl)pyridine-3-sulfonamide?
5-chloro-6-(ethylamino)-N-(1-methylcyclohexyl)pyridine-3-sulfonamide has a molecular weight of 331.87 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(ethylamino)-N-(1-methylcyclohexyl)pyridine-3-sulfonamide is sourced from PubChem (CID 64602451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).