N-(1,2,4-triazol-4-yl)benzenesulfonamide

C8H8N4O2S — CID 555204

IUPACN-(1,2,4-triazol-4-yl)benzenesulfonamide
SMILESO=S(=O)(Nn1cnnc1)c1ccccc1
InChIInChI=1S/C8H8N4O2S/c13-15(14,8-4-2-1-3-5-8)11-12-6-9-10-7-12/h1-7,11H
InChIKeyDPLZRNFOHUBEDT-UHFFFAOYSA-N
MW224.25 g/mol
LogP0.21
Rot. Bonds3

About N-(1,2,4-triazol-4-yl)benzenesulfonamide

N-(1,2,4-triazol-4-yl)benzenesulfonamide (PubChem CID 555204) has the molecular formula C8H8N4O2S and a molecular weight of 224.25 g/mol. Its IUPAC name is N-(1,2,4-triazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1,2,4-triazol-4-yl)benzenesulfonamide
PubChem CID555204
Molecular FormulaC8H8N4O2S
Molecular Weight224.25 g/mol
Exact Mass224.04
IUPAC NameN-(1,2,4-triazol-4-yl)benzenesulfonamide
SMILESO=S(=O)(Nn1cnnc1)c1ccccc1
InChIInChI=1S/C8H8N4O2S/c13-15(14,8-4-2-1-3-5-8)11-12-6-9-10-7-12/h1-7,11H
InChIKeyDPLZRNFOHUBEDT-UHFFFAOYSA-N
XLogP0.21
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 50.21
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
1-phenyl-N-(1,2,4-triazol-4-yl)methanesulfonamide
CID 669300
2-Chloro-N-[1,2,4]triazol-4-yl-benzenesulfonamide
CID 647041
N-(5-Amino-1H-1,2,4-triazol-3-yl)benzenesulfonamide
CID 13772883
4-chloro-N-(4H-1,2,4-triazol-3-yl)benzenesulfonamide
CID 921839
2,4,6-trimethyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide
CID 3113465
4-fluoro-N-(4H-1,2,4-triazol-4-yl)benzenesulfonamide
CID 2851327
1-(phenylsulfonyl)-1H-1,2,4-triazol-3-amine
CID 697181
N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide
CID 71917724
4-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide
CID 71969278
2,5-dimethyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide
CID 797067

Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-triazol-4-yl)benzenesulfonamide?
The IUPAC name of N-(1,2,4-triazol-4-yl)benzenesulfonamide (CID 555204) is N-(1,2,4-triazol-4-yl)benzenesulfonamide.
What is the SMILES notation for N-(1,2,4-triazol-4-yl)benzenesulfonamide?
The canonical SMILES for N-(1,2,4-triazol-4-yl)benzenesulfonamide is O=S(=O)(Nn1cnnc1)c1ccccc1.
What is the InChIKey of N-(1,2,4-triazol-4-yl)benzenesulfonamide?
The InChIKey is DPLZRNFOHUBEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2S/c13-15(14,8-4-2-1-3-5-8)11-12-6-9-10-7-12/h1-7,11H.
What are the key properties of N-(1,2,4-triazol-4-yl)benzenesulfonamide?
N-(1,2,4-triazol-4-yl)benzenesulfonamide has a molecular weight of 224.25 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-triazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 555204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).