N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzenesulfonamide

C9H7F3N4O2S — CID 2340665

IUPACN-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1n[nH]c(C(F)(F)F)n1)c1ccccc1
InChIInChI=1S/C9H7F3N4O2S/c10-9(11,12)7-13-8(15-14-7)16-19(17,18)6-4-2-1-3-5-6/h1-5H,(H2,13,14,15,16)
InChIKeyULSKCWWWAXUICK-UHFFFAOYSA-N
MW292.24 g/mol
LogP1.62
Rot. Bonds3

About N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzenesulfonamide

N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzenesulfonamide (PubChem CID 2340665) has the molecular formula C9H7F3N4O2S and a molecular weight of 292.24 g/mol. Its IUPAC name is N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzenesulfonamide
PubChem CID2340665
Molecular FormulaC9H7F3N4O2S
Molecular Weight292.24 g/mol
Exact Mass292.02
IUPAC NameN-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1n[nH]c(C(F)(F)F)n1)c1ccccc1
InChIInChI=1S/C9H7F3N4O2S/c10-9(11,12)7-13-8(15-14-7)16-19(17,18)6-4-2-1-3-5-6/h1-5H,(H2,13,14,15,16)
InChIKeyULSKCWWWAXUICK-UHFFFAOYSA-N
XLogP1.62
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzenesulfonamide?
The IUPAC name of N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzenesulfonamide (CID 2340665) is N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzenesulfonamide?
The canonical SMILES for N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzenesulfonamide is O=S(=O)(Nc1n[nH]c(C(F)(F)F)n1)c1ccccc1.
What is the InChIKey of N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzenesulfonamide?
The InChIKey is ULSKCWWWAXUICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4O2S/c10-9(11,12)7-13-8(15-14-7)16-19(17,18)6-4-2-1-3-5-6/h1-5H,(H2,13,14,15,16).
What are the key properties of N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzenesulfonamide?
N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzenesulfonamide has a molecular weight of 292.24 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 2340665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).