1-phenyl-N-(1,2,4-triazol-4-yl)methanesulfonamide

C9H10N4O2S — CID 669300

IUPAC1-phenyl-N-(1,2,4-triazol-4-yl)methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nn1cnnc1
InChIInChI=1S/C9H10N4O2S/c14-16(15,12-13-7-10-11-8-13)6-9-4-2-1-3-5-9/h1-5,7-8,12H,6H2
InChIKeyGEUGHNMRMYUANA-UHFFFAOYSA-N
MW238.27 g/mol
LogP0.35
Rot. Bonds4

About 1-phenyl-N-(1,2,4-triazol-4-yl)methanesulfonamide

1-phenyl-N-(1,2,4-triazol-4-yl)methanesulfonamide (PubChem CID 669300) has the molecular formula C9H10N4O2S and a molecular weight of 238.27 g/mol. Its IUPAC name is 1-phenyl-N-(1,2,4-triazol-4-yl)methanesulfonamide.

Molecular Properties

Compound Name1-phenyl-N-(1,2,4-triazol-4-yl)methanesulfonamide
PubChem CID669300
Molecular FormulaC9H10N4O2S
Molecular Weight238.27 g/mol
Exact Mass238.05
IUPAC Name1-phenyl-N-(1,2,4-triazol-4-yl)methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nn1cnnc1
InChIInChI=1S/C9H10N4O2S/c14-16(15,12-13-7-10-11-8-13)6-9-4-2-1-3-5-9/h1-5,7-8,12H,6H2
InChIKeyGEUGHNMRMYUANA-UHFFFAOYSA-N
XLogP0.35
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methyl-N-(4H-1,2,4-triazol-4-yl)benzenesulfonamide
CID 561405
1-(p-Toluenesulfonyl)-1,2,4-triazole
CID 3505424
2,4,6-trimethyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide
CID 3113465
N-[1,2,4]Triazol-4-yl-benzenesulfonamide
CID 555204
5-(3-phenylpropylsulfonyl)-1H-1,2,4-triazole
CID 665060
3-(benzylsulfonyl)-1H-1,2,4-triazole
CID 12917976
3-[(4-methylbenzyl)sulfonyl]-1H-1,2,4-triazole
CID 2063879
3-((3-Methylbenzyl)sulfonyl)-1H-1,2,4-triazole
CID 735525
1H-1,2,4-Triazole, 5-[(phenylmethyl)sulfinyl]-
CID 44267296
3-[(4-fluorobenzyl)sulfonyl]-1H-1,2,4-triazole
CID 16484757
3-Benzylsulfanyl-[1,2,4]triazol-4-ylamine
CID 292112
2-phenylethyl 4H-1,2,4-triazol-3-yl sulfone
CID 17186050

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(1,2,4-triazol-4-yl)methanesulfonamide?
The IUPAC name of 1-phenyl-N-(1,2,4-triazol-4-yl)methanesulfonamide (CID 669300) is 1-phenyl-N-(1,2,4-triazol-4-yl)methanesulfonamide.
What is the SMILES notation for 1-phenyl-N-(1,2,4-triazol-4-yl)methanesulfonamide?
The canonical SMILES for 1-phenyl-N-(1,2,4-triazol-4-yl)methanesulfonamide is O=S(=O)(Cc1ccccc1)Nn1cnnc1.
What is the InChIKey of 1-phenyl-N-(1,2,4-triazol-4-yl)methanesulfonamide?
The InChIKey is GEUGHNMRMYUANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S/c14-16(15,12-13-7-10-11-8-13)6-9-4-2-1-3-5-9/h1-5,7-8,12H,6H2.
What are the key properties of 1-phenyl-N-(1,2,4-triazol-4-yl)methanesulfonamide?
1-phenyl-N-(1,2,4-triazol-4-yl)methanesulfonamide has a molecular weight of 238.27 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(1,2,4-triazol-4-yl)methanesulfonamide is sourced from PubChem (CID 669300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).