4-[4-(hydroxymethyl)triazol-1-yl]benzenesulfonamide

C9H10N4O3S — CID 16729004

IUPAC4-[4-(hydroxymethyl)triazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cc(CO)nn2)cc1
InChIInChI=1S/C9H10N4O3S/c10-17(15,16)9-3-1-8(2-4-9)13-5-7(6-14)11-12-13/h1-5,14H,6H2,(H2,10,15,16)
InChIKeyIIQIBRLYHGPETH-UHFFFAOYSA-N
MW254.27 g/mol
LogP-0.59
Rot. Bonds3

About 4-[4-(hydroxymethyl)triazol-1-yl]benzenesulfonamide

4-[4-(hydroxymethyl)triazol-1-yl]benzenesulfonamide (PubChem CID 16729004) has the molecular formula C9H10N4O3S and a molecular weight of 254.27 g/mol. Its IUPAC name is 4-[4-(hydroxymethyl)triazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(hydroxymethyl)triazol-1-yl]benzenesulfonamide
PubChem CID16729004
Molecular FormulaC9H10N4O3S
Molecular Weight254.27 g/mol
Exact Mass254.05
IUPAC Name4-[4-(hydroxymethyl)triazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cc(CO)nn2)cc1
InChIInChI=1S/C9H10N4O3S/c10-17(15,16)9-3-1-8(2-4-9)13-5-7(6-14)11-12-13/h1-5,14H,6H2,(H2,10,15,16)
InChIKeyIIQIBRLYHGPETH-UHFFFAOYSA-N
XLogP-0.59
TPSA111.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(1-phenyl-1H-1,2,3-triazol-4-yl)methanol
CID 708707
4-[4-(Anilinomethyl)triazol-1-yl]benzenesulfonamide
CID 134131659
4-[4-(Aminomethyl)triazol-1-yl]benzenesulfonamide
CID 82198349
4-[4-(2-Bromoethyl)triazol-1-yl]benzenesulfonamide
CID 118711614
4-[4-(3-Chloropropyl)triazol-1-yl]benzenesulfonamide
CID 118711615
4-[4-(4-Chlorobutyl)triazol-1-yl]benzenesulfonamide
CID 118711616
2,3,5,6-Tetrafluoro-4-[4-(hydroxymethyl)triazol-1-yl]benzenesulfonamide
CID 118711625
4-[4-(Hydroxymethyl)-5-pyridin-2-yltriazol-1-yl]benzenesulfonamide
CID 145986123
[1-(4-fluorophenyl)-1H-1,2,3-triazol-4-yl]methanol
CID 53474006
[1-(3-fluorophenyl)-1H-1,2,3-triazol-4-yl]methanol
CID 56828290
[1-(2-fluorophenyl)-1H-1,2,3-triazol-4-yl]methanol
CID 56828292
1H-1,2,3-Triazole-4-methanol, alpha-methyl-1-phenyl-
CID 19880800

Frequently Asked Questions

What is the IUPAC name of 4-[4-(hydroxymethyl)triazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(hydroxymethyl)triazol-1-yl]benzenesulfonamide (CID 16729004) is 4-[4-(hydroxymethyl)triazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(hydroxymethyl)triazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(hydroxymethyl)triazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2cc(CO)nn2)cc1.
What is the InChIKey of 4-[4-(hydroxymethyl)triazol-1-yl]benzenesulfonamide?
The InChIKey is IIQIBRLYHGPETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3S/c10-17(15,16)9-3-1-8(2-4-9)13-5-7(6-14)11-12-13/h1-5,14H,6H2,(H2,10,15,16).
What are the key properties of 4-[4-(hydroxymethyl)triazol-1-yl]benzenesulfonamide?
4-[4-(hydroxymethyl)triazol-1-yl]benzenesulfonamide has a molecular weight of 254.27 g/mol, XLogP of -0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(hydroxymethyl)triazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 16729004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).