2-hydroxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide

C9H10N4O3S — CID 81245663

IUPAC2-hydroxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ncn[nH]1)c1ccccc1O
InChIInChI=1S/C9H10N4O3S/c14-7-3-1-2-4-8(7)17(15,16)12-5-9-10-6-11-13-9/h1-4,6,12,14H,5H2,(H,10,11,13)
InChIKeyAMHSLFPGBYPOOW-UHFFFAOYSA-N
MW254.27 g/mol
LogP-0.01
Rot. Bonds4

About 2-hydroxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide

2-hydroxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide (PubChem CID 81245663) has the molecular formula C9H10N4O3S and a molecular weight of 254.27 g/mol. Its IUPAC name is 2-hydroxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-hydroxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
PubChem CID81245663
Molecular FormulaC9H10N4O3S
Molecular Weight254.27 g/mol
Exact Mass254.05
IUPAC Name2-hydroxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ncn[nH]1)c1ccccc1O
InChIInChI=1S/C9H10N4O3S/c14-7-3-1-2-4-8(7)17(15,16)12-5-9-10-6-11-13-9/h1-4,6,12,14H,5H2,(H,10,11,13)
InChIKeyAMHSLFPGBYPOOW-UHFFFAOYSA-N
XLogP-0.01
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-difluoro-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 54883734
2-(1H-1,2,4-triazol-5-ylmethylamino)benzenesulfonamide
CID 54884650
2,4-difluoro-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 54883353
1-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide
CID 63666633
2-amino-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 61113449
4-bromo-2-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 60982560
4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)benzamide
CID 54883543
4-(ethylaminomethyl)-2-fluoro-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 106013479
3-methoxy-4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)benzoic acid
CID 102694756
2-bromo-5-(ethylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-3-sulfonamide
CID 106013304
3-(ethylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-sulfonamide
CID 103306246
N-[4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)phenyl]acetamide
CID 60983716

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-hydroxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide (CID 81245663) is 2-hydroxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-hydroxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-hydroxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1ncn[nH]1)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide?
The InChIKey is AMHSLFPGBYPOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3S/c14-7-3-1-2-4-8(7)17(15,16)12-5-9-10-6-11-13-9/h1-4,6,12,14H,5H2,(H,10,11,13).
What are the key properties of 2-hydroxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide?
2-hydroxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide has a molecular weight of 254.27 g/mol, XLogP of -0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 81245663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).