[1-[2-(4-chlorophenyl)sulfonylethyl]triazol-4-yl]methanol

C11H12ClN3O3S — CID 62400911

IUPAC[1-[2-(4-chlorophenyl)sulfonylethyl]triazol-4-yl]methanol
SMILESO=S(=O)(CCn1cc(CO)nn1)c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClN3O3S/c12-9-1-3-11(4-2-9)19(17,18)6-5-15-7-10(8-16)13-14-15/h1-4,7,16H,5-6,8H2
InChIKeyRVLPGUBYASLGIT-UHFFFAOYSA-N
MW301.76 g/mol
LogP0.90
Rot. Bonds5

About [1-[2-(4-chlorophenyl)sulfonylethyl]triazol-4-yl]methanol

[1-[2-(4-chlorophenyl)sulfonylethyl]triazol-4-yl]methanol (PubChem CID 62400911) has the molecular formula C11H12ClN3O3S and a molecular weight of 301.76 g/mol. Its IUPAC name is [1-[2-(4-chlorophenyl)sulfonylethyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-(4-chlorophenyl)sulfonylethyl]triazol-4-yl]methanol
PubChem CID62400911
Molecular FormulaC11H12ClN3O3S
Molecular Weight301.76 g/mol
Exact Mass301.03
IUPAC Name[1-[2-(4-chlorophenyl)sulfonylethyl]triazol-4-yl]methanol
SMILESO=S(=O)(CCn1cc(CO)nn1)c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClN3O3S/c12-9-1-3-11(4-2-9)19(17,18)6-5-15-7-10(8-16)13-14-15/h1-4,7,16H,5-6,8H2
InChIKeyRVLPGUBYASLGIT-UHFFFAOYSA-N
XLogP0.90
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.76
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-chlorophenyl)sulfonylethyl]triazol-4-yl]methanol?
The IUPAC name of [1-[2-(4-chlorophenyl)sulfonylethyl]triazol-4-yl]methanol (CID 62400911) is [1-[2-(4-chlorophenyl)sulfonylethyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[2-(4-chlorophenyl)sulfonylethyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[2-(4-chlorophenyl)sulfonylethyl]triazol-4-yl]methanol is O=S(=O)(CCn1cc(CO)nn1)c1ccc(Cl)cc1.
What is the InChIKey of [1-[2-(4-chlorophenyl)sulfonylethyl]triazol-4-yl]methanol?
The InChIKey is RVLPGUBYASLGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O3S/c12-9-1-3-11(4-2-9)19(17,18)6-5-15-7-10(8-16)13-14-15/h1-4,7,16H,5-6,8H2.
What are the key properties of [1-[2-(4-chlorophenyl)sulfonylethyl]triazol-4-yl]methanol?
[1-[2-(4-chlorophenyl)sulfonylethyl]triazol-4-yl]methanol has a molecular weight of 301.76 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-chlorophenyl)sulfonylethyl]triazol-4-yl]methanol is sourced from PubChem (CID 62400911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).