4-(1H-pyrazol-5-ylamino)-2-(trifluoromethyl)benzenesulfonamide

C10H9F3N4O2S — CID 70908233

IUPAC4-(1H-pyrazol-5-ylamino)-2-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2ccn[nH]2)cc1C(F)(F)F
InChIInChI=1S/C10H9F3N4O2S/c11-10(12,13)7-5-6(16-9-3-4-15-17-9)1-2-8(7)20(14,18)19/h1-5H,(H2,14,18,19)(H2,15,16,17)
InChIKeyBDWBHRRNICZWCA-UHFFFAOYSA-N
MW306.27 g/mol
LogP1.82
Rot. Bonds3

About 4-(1H-pyrazol-5-ylamino)-2-(trifluoromethyl)benzenesulfonamide

4-(1H-pyrazol-5-ylamino)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 70908233) has the molecular formula C10H9F3N4O2S and a molecular weight of 306.27 g/mol. Its IUPAC name is 4-(1H-pyrazol-5-ylamino)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(1H-pyrazol-5-ylamino)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID70908233
Molecular FormulaC10H9F3N4O2S
Molecular Weight306.27 g/mol
Exact Mass306.04
IUPAC Name4-(1H-pyrazol-5-ylamino)-2-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2ccn[nH]2)cc1C(F)(F)F
InChIInChI=1S/C10H9F3N4O2S/c11-10(12,13)7-5-6(16-9-3-4-15-17-9)1-2-8(7)20(14,18)19/h1-5H,(H2,14,18,19)(H2,15,16,17)
InChIKeyBDWBHRRNICZWCA-UHFFFAOYSA-N
XLogP1.82
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrazol-5-ylamino)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-(1H-pyrazol-5-ylamino)-2-(trifluoromethyl)benzenesulfonamide (CID 70908233) is 4-(1H-pyrazol-5-ylamino)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-(1H-pyrazol-5-ylamino)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-(1H-pyrazol-5-ylamino)-2-(trifluoromethyl)benzenesulfonamide is NS(=O)(=O)c1ccc(Nc2ccn[nH]2)cc1C(F)(F)F.
What is the InChIKey of 4-(1H-pyrazol-5-ylamino)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is BDWBHRRNICZWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4O2S/c11-10(12,13)7-5-6(16-9-3-4-15-17-9)1-2-8(7)20(14,18)19/h1-5H,(H2,14,18,19)(H2,15,16,17).
What are the key properties of 4-(1H-pyrazol-5-ylamino)-2-(trifluoromethyl)benzenesulfonamide?
4-(1H-pyrazol-5-ylamino)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 306.27 g/mol, XLogP of 1.82, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrazol-5-ylamino)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 70908233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).