4-chloro-N-[2-(triazol-1-yl)ethyl]butane-1-sulfonamide

C8H15ClN4O2S — CID 116816494

IUPAC4-chloro-N-[2-(triazol-1-yl)ethyl]butane-1-sulfonamide
SMILESO=S(=O)(CCCCCl)NCCn1ccnn1
InChIInChI=1S/C8H15ClN4O2S/c9-3-1-2-8-16(14,15)11-5-7-13-6-4-10-12-13/h4,6,11H,1-3,5,7-8H2
InChIKeyYUWYMPOCRSTJJC-UHFFFAOYSA-N
MW266.75 g/mol
LogP0.22
Rot. Bonds8

About 4-chloro-N-[2-(triazol-1-yl)ethyl]butane-1-sulfonamide

4-chloro-N-[2-(triazol-1-yl)ethyl]butane-1-sulfonamide (PubChem CID 116816494) has the molecular formula C8H15ClN4O2S and a molecular weight of 266.75 g/mol. Its IUPAC name is 4-chloro-N-[2-(triazol-1-yl)ethyl]butane-1-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(triazol-1-yl)ethyl]butane-1-sulfonamide
PubChem CID116816494
Molecular FormulaC8H15ClN4O2S
Molecular Weight266.75 g/mol
Exact Mass266.06
IUPAC Name4-chloro-N-[2-(triazol-1-yl)ethyl]butane-1-sulfonamide
SMILESO=S(=O)(CCCCCl)NCCn1ccnn1
InChIInChI=1S/C8H15ClN4O2S/c9-3-1-2-8-16(14,15)11-5-7-13-6-4-10-12-13/h4,6,11H,1-3,5,7-8H2
InChIKeyYUWYMPOCRSTJJC-UHFFFAOYSA-N
XLogP0.22
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(methylamino)-N-[3-(triazol-1-yl)propyl]propane-1-sulfonamide
CID 106077027
3-(propylamino)-N-[3-(triazol-1-yl)propyl]propane-1-sulfonamide
CID 106076985
1-(5-chloropentyl)triazole
CID 66780657
2-(triazol-1-yl)ethanesulfonyl chloride
CID 130116342
4-chloro-N-(2-piperidin-1-ylethyl)butane-1-sulfonamide
CID 116816051
1-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]triazole
CID 106077188
2-[3-(triazol-1-yl)propylamino]ethanesulfonamide
CID 114385172
1-piperidin-3-yl-N-[2-(triazol-1-yl)ethyl]methanesulfonamide
CID 113413001
N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-5-sulfonamide
CID 102693334
1-[4-(triazol-1-yl)butyl]triazole
CID 90925029
1-[2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]ethyl]triazole
CID 106077211
4-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]butane-1-sulfonamide
CID 116816357

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(triazol-1-yl)ethyl]butane-1-sulfonamide?
The IUPAC name of 4-chloro-N-[2-(triazol-1-yl)ethyl]butane-1-sulfonamide (CID 116816494) is 4-chloro-N-[2-(triazol-1-yl)ethyl]butane-1-sulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(triazol-1-yl)ethyl]butane-1-sulfonamide?
The canonical SMILES for 4-chloro-N-[2-(triazol-1-yl)ethyl]butane-1-sulfonamide is O=S(=O)(CCCCCl)NCCn1ccnn1.
What is the InChIKey of 4-chloro-N-[2-(triazol-1-yl)ethyl]butane-1-sulfonamide?
The InChIKey is YUWYMPOCRSTJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClN4O2S/c9-3-1-2-8-16(14,15)11-5-7-13-6-4-10-12-13/h4,6,11H,1-3,5,7-8H2.
What are the key properties of 4-chloro-N-[2-(triazol-1-yl)ethyl]butane-1-sulfonamide?
4-chloro-N-[2-(triazol-1-yl)ethyl]butane-1-sulfonamide has a molecular weight of 266.75 g/mol, XLogP of 0.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(triazol-1-yl)ethyl]butane-1-sulfonamide is sourced from PubChem (CID 116816494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).