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

C11H14ClN5O2S — CID 84589528

IUPAC5-chloro-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyridine-3-sulfonamide
SMILESCc1nc(CCCNS(=O)(=O)c2cncc(Cl)c2)n[nH]1
InChIInChI=1S/C11H14ClN5O2S/c1-8-15-11(17-16-8)3-2-4-14-20(18,19)10-5-9(12)6-13-7-10/h5-7,14H,2-4H2,1H3,(H,15,16,17)
InChIKeyONOQXXMGZPAUQF-UHFFFAOYSA-N
MW315.79 g/mol
LogP1.07
Rot. Bonds6

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

5-chloro-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyridine-3-sulfonamide (PubChem CID 84589528) has the molecular formula C11H14ClN5O2S and a molecular weight of 315.79 g/mol. Its IUPAC name is 5-chloro-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyridine-3-sulfonamide
PubChem CID84589528
Molecular FormulaC11H14ClN5O2S
Molecular Weight315.79 g/mol
Exact Mass315.06
IUPAC Name5-chloro-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyridine-3-sulfonamide
SMILESCc1nc(CCCNS(=O)(=O)c2cncc(Cl)c2)n[nH]1
InChIInChI=1S/C11H14ClN5O2S/c1-8-15-11(17-16-8)3-2-4-14-20(18,19)10-5-9(12)6-13-7-10/h5-7,14H,2-4H2,1H3,(H,15,16,17)
InChIKeyONOQXXMGZPAUQF-UHFFFAOYSA-N
XLogP1.07
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.79
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyridine-3-sulfonamide (CID 84589528) is 5-chloro-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyridine-3-sulfonamide is Cc1nc(CCCNS(=O)(=O)c2cncc(Cl)c2)n[nH]1.
What is the InChIKey of 5-chloro-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyridine-3-sulfonamide?
The InChIKey is ONOQXXMGZPAUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5O2S/c1-8-15-11(17-16-8)3-2-4-14-20(18,19)10-5-9(12)6-13-7-10/h5-7,14H,2-4H2,1H3,(H,15,16,17).
What are the key properties of 5-chloro-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyridine-3-sulfonamide?
5-chloro-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyridine-3-sulfonamide has a molecular weight of 315.79 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyridine-3-sulfonamide is sourced from PubChem (CID 84589528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).