[4-[(3-thiophen-2-yl-1,2,4-triazol-1-yl)sulfonyl]phenyl]methanol

C13H11N3O3S2 — CID 164807049

IUPAC[4-[(3-thiophen-2-yl-1,2,4-triazol-1-yl)sulfonyl]phenyl]methanol
SMILESO=S(=O)(c1ccc(CO)cc1)n1cnc(-c2cccs2)n1
InChIInChI=1S/C13H11N3O3S2/c17-8-10-3-5-11(6-4-10)21(18,19)16-9-14-13(15-16)12-2-1-7-20-12/h1-7,9,17H,8H2
InChIKeyNFJKMDYCURAFPD-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.74
Rot. Bonds4

About [4-[(3-thiophen-2-yl-1,2,4-triazol-1-yl)sulfonyl]phenyl]methanol

[4-[(3-thiophen-2-yl-1,2,4-triazol-1-yl)sulfonyl]phenyl]methanol (PubChem CID 164807049) has the molecular formula C13H11N3O3S2 and a molecular weight of 321.38 g/mol. Its IUPAC name is [4-[(3-thiophen-2-yl-1,2,4-triazol-1-yl)sulfonyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(3-thiophen-2-yl-1,2,4-triazol-1-yl)sulfonyl]phenyl]methanol
PubChem CID164807049
Molecular FormulaC13H11N3O3S2
Molecular Weight321.38 g/mol
Exact Mass321.02
IUPAC Name[4-[(3-thiophen-2-yl-1,2,4-triazol-1-yl)sulfonyl]phenyl]methanol
SMILESO=S(=O)(c1ccc(CO)cc1)n1cnc(-c2cccs2)n1
InChIInChI=1S/C13H11N3O3S2/c17-8-10-3-5-11(6-4-10)21(18,19)16-9-14-13(15-16)12-2-1-7-20-12/h1-7,9,17H,8H2
InChIKeyNFJKMDYCURAFPD-UHFFFAOYSA-N
XLogP1.74
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[(3-thiophen-2-yl-1,2,4-triazol-1-yl)sulfonyl]phenyl]methanol?
The IUPAC name of [4-[(3-thiophen-2-yl-1,2,4-triazol-1-yl)sulfonyl]phenyl]methanol (CID 164807049) is [4-[(3-thiophen-2-yl-1,2,4-triazol-1-yl)sulfonyl]phenyl]methanol.
What is the SMILES notation for [4-[(3-thiophen-2-yl-1,2,4-triazol-1-yl)sulfonyl]phenyl]methanol?
The canonical SMILES for [4-[(3-thiophen-2-yl-1,2,4-triazol-1-yl)sulfonyl]phenyl]methanol is O=S(=O)(c1ccc(CO)cc1)n1cnc(-c2cccs2)n1.
What is the InChIKey of [4-[(3-thiophen-2-yl-1,2,4-triazol-1-yl)sulfonyl]phenyl]methanol?
The InChIKey is NFJKMDYCURAFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3S2/c17-8-10-3-5-11(6-4-10)21(18,19)16-9-14-13(15-16)12-2-1-7-20-12/h1-7,9,17H,8H2.
What are the key properties of [4-[(3-thiophen-2-yl-1,2,4-triazol-1-yl)sulfonyl]phenyl]methanol?
[4-[(3-thiophen-2-yl-1,2,4-triazol-1-yl)sulfonyl]phenyl]methanol has a molecular weight of 321.38 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-thiophen-2-yl-1,2,4-triazol-1-yl)sulfonyl]phenyl]methanol is sourced from PubChem (CID 164807049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).