1-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methanesulfonamide

C8H8ClN5O2S — CID 63665812

IUPAC1-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methanesulfonamide
SMILESO=S(=O)(CCl)Nc1cccnc1-n1cncn1
InChIInChI=1S/C8H8ClN5O2S/c9-4-17(15,16)13-7-2-1-3-11-8(7)14-6-10-5-12-14/h1-3,5-6,13H,4H2
InChIKeySOPZXJXFJGJPPW-UHFFFAOYSA-N
MW273.70 g/mol
LogP0.60
Rot. Bonds4

About 1-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methanesulfonamide

1-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methanesulfonamide (PubChem CID 63665812) has the molecular formula C8H8ClN5O2S and a molecular weight of 273.70 g/mol. Its IUPAC name is 1-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methanesulfonamide
PubChem CID63665812
Molecular FormulaC8H8ClN5O2S
Molecular Weight273.70 g/mol
Exact Mass273.01
IUPAC Name1-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methanesulfonamide
SMILESO=S(=O)(CCl)Nc1cccnc1-n1cncn1
InChIInChI=1S/C8H8ClN5O2S/c9-4-17(15,16)13-7-2-1-3-11-8(7)14-6-10-5-12-14/h1-3,5-6,13H,4H2
InChIKeySOPZXJXFJGJPPW-UHFFFAOYSA-N
XLogP0.60
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.70
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methanesulfonamide?
The IUPAC name of 1-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methanesulfonamide (CID 63665812) is 1-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for 1-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methanesulfonamide?
The canonical SMILES for 1-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methanesulfonamide is O=S(=O)(CCl)Nc1cccnc1-n1cncn1.
What is the InChIKey of 1-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methanesulfonamide?
The InChIKey is SOPZXJXFJGJPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN5O2S/c9-4-17(15,16)13-7-2-1-3-11-8(7)14-6-10-5-12-14/h1-3,5-6,13H,4H2.
What are the key properties of 1-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methanesulfonamide?
1-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methanesulfonamide has a molecular weight of 273.70 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 63665812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).