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

C11H15ClN6O2S — CID 80685568

IUPAC5-chloro-6-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide
SMILESCNc1ncc(S(=O)(=O)NCCc2ncn(C)n2)cc1Cl
InChIInChI=1S/C11H15ClN6O2S/c1-13-11-9(12)5-8(6-14-11)21(19,20)16-4-3-10-15-7-18(2)17-10/h5-7,16H,3-4H2,1-2H3,(H,13,14)
InChIKeyZLTMJDDPNWDQFU-UHFFFAOYSA-N
MW330.80 g/mol
LogP0.43
Rot. Bonds6

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

5-chloro-6-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide (PubChem CID 80685568) has the molecular formula C11H15ClN6O2S and a molecular weight of 330.80 g/mol. Its IUPAC name is 5-chloro-6-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-6-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide
PubChem CID80685568
Molecular FormulaC11H15ClN6O2S
Molecular Weight330.80 g/mol
Exact Mass330.07
IUPAC Name5-chloro-6-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide
SMILESCNc1ncc(S(=O)(=O)NCCc2ncn(C)n2)cc1Cl
InChIInChI=1S/C11H15ClN6O2S/c1-13-11-9(12)5-8(6-14-11)21(19,20)16-4-3-10-15-7-18(2)17-10/h5-7,16H,3-4H2,1-2H3,(H,13,14)
InChIKeyZLTMJDDPNWDQFU-UHFFFAOYSA-N
XLogP0.43
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.80
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-bromo-2-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide
CID 80685572
5-chloro-6-(methylamino)-N-(3,3,3-trifluoropropyl)pyridine-3-sulfonamide
CID 64602290
5-chloro-N-hexyl-6-(methylamino)pyridine-3-sulfonamide
CID 64602106
5-chloro-6-(methylamino)-N-(2-morpholin-4-ylethyl)pyridine-3-sulfonamide
CID 64608502
5-chloro-N-(2-cyclopentylethyl)-6-(methylamino)pyridine-3-sulfonamide
CID 64600883
5-chloro-6-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide
CID 64601125
2-amino-4,6-dichloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 80684988
2-amino-6-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 80681368
5-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-6-(methylamino)pyridine-3-sulfonamide
CID 107464615
5-chloro-6-(methylamino)-N-(2-methylbutan-2-yl)pyridine-3-sulfonamide
CID 64607176
5-chloro-6-(methylamino)-N-pyrimidin-2-ylpyridine-3-sulfonamide
CID 64607730
5-chloro-6-(methylamino)-N-(2,2,3,3-tetrafluoropropyl)pyridine-3-sulfonamide
CID 106295502

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-6-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide (CID 80685568) is 5-chloro-6-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-6-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-6-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide is CNc1ncc(S(=O)(=O)NCCc2ncn(C)n2)cc1Cl.
What is the InChIKey of 5-chloro-6-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide?
The InChIKey is ZLTMJDDPNWDQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN6O2S/c1-13-11-9(12)5-8(6-14-11)21(19,20)16-4-3-10-15-7-18(2)17-10/h5-7,16H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 5-chloro-6-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide?
5-chloro-6-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide has a molecular weight of 330.80 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 80685568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).