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

C9H10ClN5O2S — CID 64531519

IUPAC4-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCCc1ncn[nH]1)c1cnccc1Cl
InChIInChI=1S/C9H10ClN5O2S/c10-7-1-3-11-5-8(7)18(16,17)14-4-2-9-12-6-13-15-9/h1,3,5-6,14H,2,4H2,(H,12,13,15)
InChIKeyWRKNETJTZQIXMJ-UHFFFAOYSA-N
MW287.73 g/mol
LogP0.37
Rot. Bonds5

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

4-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide (PubChem CID 64531519) has the molecular formula C9H10ClN5O2S and a molecular weight of 287.73 g/mol. Its IUPAC name is 4-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide
PubChem CID64531519
Molecular FormulaC9H10ClN5O2S
Molecular Weight287.73 g/mol
Exact Mass287.02
IUPAC Name4-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCCc1ncn[nH]1)c1cnccc1Cl
InChIInChI=1S/C9H10ClN5O2S/c10-7-1-3-11-5-8(7)18(16,17)14-4-2-9-12-6-13-15-9/h1,3,5-6,14H,2,4H2,(H,12,13,15)
InChIKeyWRKNETJTZQIXMJ-UHFFFAOYSA-N
XLogP0.37
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.73
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydrazinyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-3-sulfonamide
CID 64531197
2-chloro-5-(methylaminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106067992
3,5-dichloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64529701
2-chloro-4-nitro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64531114
3-amino-2-bromo-5-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64519149
2-amino-5-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 64525350
4-chloro-N-octylpyridine-3-sulfonamide
CID 113337153
4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64518969
2-amino-4-fluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64518578
6-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 64524954
4-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-3-sulfonamide
CID 106336289
6-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 64523185

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 4-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide (CID 64531519) is 4-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 4-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide is O=S(=O)(NCCc1ncn[nH]1)c1cnccc1Cl.
What is the InChIKey of 4-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide?
The InChIKey is WRKNETJTZQIXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5O2S/c10-7-1-3-11-5-8(7)18(16,17)14-4-2-9-12-6-13-15-9/h1,3,5-6,14H,2,4H2,(H,12,13,15).
What are the key properties of 4-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide?
4-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide has a molecular weight of 287.73 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 64531519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).