N-(2-tert-butyl-1,2,4-triazol-3-yl)benzenesulfonamide

C12H16N4O2S — CID 167898512

IUPACN-(2-tert-butyl-1,2,4-triazol-3-yl)benzenesulfonamide
SMILESCC(C)(C)n1ncnc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H16N4O2S/c1-12(2,3)16-11(13-9-14-16)15-19(17,18)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,13,14,15)
InChIKeySFSDNUQSZGDKKD-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.83
Rot. Bonds3

About N-(2-tert-butyl-1,2,4-triazol-3-yl)benzenesulfonamide

N-(2-tert-butyl-1,2,4-triazol-3-yl)benzenesulfonamide (PubChem CID 167898512) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-(2-tert-butyl-1,2,4-triazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-tert-butyl-1,2,4-triazol-3-yl)benzenesulfonamide
PubChem CID167898512
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC NameN-(2-tert-butyl-1,2,4-triazol-3-yl)benzenesulfonamide
SMILESCC(C)(C)n1ncnc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H16N4O2S/c1-12(2,3)16-11(13-9-14-16)15-19(17,18)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,13,14,15)
InChIKeySFSDNUQSZGDKKD-UHFFFAOYSA-N
XLogP1.83
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 4418200
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CID 91648887
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CID 168499537
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CID 168499563
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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-1,2,4-triazol-3-yl)benzenesulfonamide?
The IUPAC name of N-(2-tert-butyl-1,2,4-triazol-3-yl)benzenesulfonamide (CID 167898512) is N-(2-tert-butyl-1,2,4-triazol-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(2-tert-butyl-1,2,4-triazol-3-yl)benzenesulfonamide?
The canonical SMILES for N-(2-tert-butyl-1,2,4-triazol-3-yl)benzenesulfonamide is CC(C)(C)n1ncnc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(2-tert-butyl-1,2,4-triazol-3-yl)benzenesulfonamide?
The InChIKey is SFSDNUQSZGDKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-12(2,3)16-11(13-9-14-16)15-19(17,18)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,13,14,15).
What are the key properties of N-(2-tert-butyl-1,2,4-triazol-3-yl)benzenesulfonamide?
N-(2-tert-butyl-1,2,4-triazol-3-yl)benzenesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-1,2,4-triazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 167898512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).