5-chloro-N-methyl-6-(methylamino)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-3-sulfonamide

C11H15ClN6O2S — CID 64602108

IUPAC5-chloro-N-methyl-6-(methylamino)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-3-sulfonamide
SMILESCNc1ncc(S(=O)(=O)N(C)Cc2n[nH]c(C)n2)cc1Cl
InChIInChI=1S/C11H15ClN6O2S/c1-7-15-10(17-16-7)6-18(3)21(19,20)8-4-9(12)11(13-2)14-5-8/h4-5H,6H2,1-3H3,(H,13,14)(H,15,16,17)
InChIKeyXXMRHRPTWWUXLO-UHFFFAOYSA-N
MW330.80 g/mol
LogP1.02
Rot. Bonds5

About 5-chloro-N-methyl-6-(methylamino)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-3-sulfonamide

5-chloro-N-methyl-6-(methylamino)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-3-sulfonamide (PubChem CID 64602108) has the molecular formula C11H15ClN6O2S and a molecular weight of 330.80 g/mol. Its IUPAC name is 5-chloro-N-methyl-6-(methylamino)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-methyl-6-(methylamino)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-3-sulfonamide
PubChem CID64602108
Molecular FormulaC11H15ClN6O2S
Molecular Weight330.80 g/mol
Exact Mass330.07
IUPAC Name5-chloro-N-methyl-6-(methylamino)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-3-sulfonamide
SMILESCNc1ncc(S(=O)(=O)N(C)Cc2n[nH]c(C)n2)cc1Cl
InChIInChI=1S/C11H15ClN6O2S/c1-7-15-10(17-16-7)6-18(3)21(19,20)8-4-9(12)11(13-2)14-5-8/h4-5H,6H2,1-3H3,(H,13,14)(H,15,16,17)
InChIKeyXXMRHRPTWWUXLO-UHFFFAOYSA-N
XLogP1.02
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.80
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-6-(methylamino)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-methyl-6-(methylamino)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-3-sulfonamide (CID 64602108) is 5-chloro-N-methyl-6-(methylamino)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-methyl-6-(methylamino)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-methyl-6-(methylamino)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-3-sulfonamide is CNc1ncc(S(=O)(=O)N(C)Cc2n[nH]c(C)n2)cc1Cl.
What is the InChIKey of 5-chloro-N-methyl-6-(methylamino)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is XXMRHRPTWWUXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN6O2S/c1-7-15-10(17-16-7)6-18(3)21(19,20)8-4-9(12)11(13-2)14-5-8/h4-5H,6H2,1-3H3,(H,13,14)(H,15,16,17).
What are the key properties of 5-chloro-N-methyl-6-(methylamino)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-3-sulfonamide?
5-chloro-N-methyl-6-(methylamino)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-3-sulfonamide has a molecular weight of 330.80 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-6-(methylamino)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 64602108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).