N-(5-methyl-1H-pyrazol-4-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide

C12H9F6N3O2S — CID 47092052

IUPACN-(5-methyl-1H-pyrazol-4-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide
SMILESCc1[nH]ncc1NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C12H9F6N3O2S/c1-6-10(5-19-20-6)21-24(22,23)9-3-7(11(13,14)15)2-8(4-9)12(16,17)18/h2-5,21H,1H3,(H,19,20)
InChIKeyAODSKCJNUIEELW-UHFFFAOYSA-N
MW373.28 g/mol
LogP3.56
Rot. Bonds3

About N-(5-methyl-1H-pyrazol-4-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide

N-(5-methyl-1H-pyrazol-4-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide (PubChem CID 47092052) has the molecular formula C12H9F6N3O2S and a molecular weight of 373.28 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-4-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-4-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide
PubChem CID47092052
Molecular FormulaC12H9F6N3O2S
Molecular Weight373.28 g/mol
Exact Mass373.03
IUPAC NameN-(5-methyl-1H-pyrazol-4-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide
SMILESCc1[nH]ncc1NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C12H9F6N3O2S/c1-6-10(5-19-20-6)21-24(22,23)9-3-7(11(13,14)15)2-8(4-9)12(16,17)18/h2-5,21H,1H3,(H,19,20)
InChIKeyAODSKCJNUIEELW-UHFFFAOYSA-N
XLogP3.56
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-4-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(5-methyl-1H-pyrazol-4-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide (CID 47092052) is N-(5-methyl-1H-pyrazol-4-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-4-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(5-methyl-1H-pyrazol-4-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide is Cc1[nH]ncc1NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-4-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide?
The InChIKey is AODSKCJNUIEELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F6N3O2S/c1-6-10(5-19-20-6)21-24(22,23)9-3-7(11(13,14)15)2-8(4-9)12(16,17)18/h2-5,21H,1H3,(H,19,20).
What are the key properties of N-(5-methyl-1H-pyrazol-4-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide?
N-(5-methyl-1H-pyrazol-4-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide has a molecular weight of 373.28 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-4-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 47092052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).