N-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide

C10H8F3N3O2S — CID 61394193

IUPACN-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccn[nH]1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H8F3N3O2S/c11-10(12,13)7-1-3-8(4-2-7)19(17,18)16-9-5-6-14-15-9/h1-6H,(H2,14,15,16)
InChIKeyJMTPHLHCVUQPTG-UHFFFAOYSA-N
MW291.25 g/mol
LogP2.23
Rot. Bonds3

About N-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide

N-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 61394193) has the molecular formula C10H8F3N3O2S and a molecular weight of 291.25 g/mol. Its IUPAC name is N-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide
PubChem CID61394193
Molecular FormulaC10H8F3N3O2S
Molecular Weight291.25 g/mol
Exact Mass291.03
IUPAC NameN-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccn[nH]1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H8F3N3O2S/c11-10(12,13)7-1-3-8(4-2-7)19(17,18)16-9-5-6-14-15-9/h1-6H,(H2,14,15,16)
InChIKeyJMTPHLHCVUQPTG-UHFFFAOYSA-N
XLogP2.23
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide (CID 61394193) is N-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1ccn[nH]1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is JMTPHLHCVUQPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O2S/c11-10(12,13)7-1-3-8(4-2-7)19(17,18)16-9-5-6-14-15-9/h1-6H,(H2,14,15,16).
What are the key properties of N-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide?
N-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 291.25 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 61394193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).