4-[2-[4-(hydroxymethyl)triazol-1-yl]ethoxy]benzenesulfonamide

C11H14N4O4S — CID 62402229

IUPAC4-[2-[4-(hydroxymethyl)triazol-1-yl]ethoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCCn2cc(CO)nn2)cc1
InChIInChI=1S/C11H14N4O4S/c12-20(17,18)11-3-1-10(2-4-11)19-6-5-15-7-9(8-16)13-14-15/h1-4,7,16H,5-6,8H2,(H2,12,17,18)
InChIKeyGGGSZKVDIOCBTD-UHFFFAOYSA-N
MW298.32 g/mol
LogP-0.50
Rot. Bonds6

About 4-[2-[4-(hydroxymethyl)triazol-1-yl]ethoxy]benzenesulfonamide

4-[2-[4-(hydroxymethyl)triazol-1-yl]ethoxy]benzenesulfonamide (PubChem CID 62402229) has the molecular formula C11H14N4O4S and a molecular weight of 298.32 g/mol. Its IUPAC name is 4-[2-[4-(hydroxymethyl)triazol-1-yl]ethoxy]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[4-(hydroxymethyl)triazol-1-yl]ethoxy]benzenesulfonamide
PubChem CID62402229
Molecular FormulaC11H14N4O4S
Molecular Weight298.32 g/mol
Exact Mass298.07
IUPAC Name4-[2-[4-(hydroxymethyl)triazol-1-yl]ethoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCCn2cc(CO)nn2)cc1
InChIInChI=1S/C11H14N4O4S/c12-20(17,18)11-3-1-10(2-4-11)19-6-5-15-7-9(8-16)13-14-15/h1-4,7,16H,5-6,8H2,(H2,12,17,18)
InChIKeyGGGSZKVDIOCBTD-UHFFFAOYSA-N
XLogP-0.50
TPSA120.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-[4-(1-chloroethyl)triazol-1-yl]ethoxy]benzenesulfonamide
CID 81448932
[1-[3-(4-methylphenoxy)propyl]triazol-4-yl]methanol
CID 82209490
2-[1-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]ethanol
CID 62401507
4-(bromomethyl)-1-[2-(4-fluorophenoxy)ethyl]triazole
CID 62401793
2-amino-N-[[1-[2-(4-bromophenoxy)ethyl]triazol-4-yl]methyl]acetamide
CID 114778611
N-[[1-(2-phenoxyethyl)triazol-4-yl]methyl]ethanesulfonamide
CID 131961836
[1-[2-(2,5-dimethylphenoxy)ethyl]triazol-4-yl]methanol
CID 62400540
[1-(2-aminoethyl)triazol-4-yl]methanol;hydrochloride
CID 86262352
[1-[3-(3-methylphenoxy)propyl]triazol-4-yl]methanol
CID 62401478
N-methyl-1-[1-[2-(4-methylphenoxy)ethyl]triazol-4-yl]methanamine
CID 62450708
4-[2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzenesulfonamide
CID 61468859
4-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]ethoxy]benzenesulfonamide
CID 34704622

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(hydroxymethyl)triazol-1-yl]ethoxy]benzenesulfonamide?
The IUPAC name of 4-[2-[4-(hydroxymethyl)triazol-1-yl]ethoxy]benzenesulfonamide (CID 62402229) is 4-[2-[4-(hydroxymethyl)triazol-1-yl]ethoxy]benzenesulfonamide.
What is the SMILES notation for 4-[2-[4-(hydroxymethyl)triazol-1-yl]ethoxy]benzenesulfonamide?
The canonical SMILES for 4-[2-[4-(hydroxymethyl)triazol-1-yl]ethoxy]benzenesulfonamide is NS(=O)(=O)c1ccc(OCCn2cc(CO)nn2)cc1.
What is the InChIKey of 4-[2-[4-(hydroxymethyl)triazol-1-yl]ethoxy]benzenesulfonamide?
The InChIKey is GGGSZKVDIOCBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4S/c12-20(17,18)11-3-1-10(2-4-11)19-6-5-15-7-9(8-16)13-14-15/h1-4,7,16H,5-6,8H2,(H2,12,17,18).
What are the key properties of 4-[2-[4-(hydroxymethyl)triazol-1-yl]ethoxy]benzenesulfonamide?
4-[2-[4-(hydroxymethyl)triazol-1-yl]ethoxy]benzenesulfonamide has a molecular weight of 298.32 g/mol, XLogP of -0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(hydroxymethyl)triazol-1-yl]ethoxy]benzenesulfonamide is sourced from PubChem (CID 62402229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).