N-(1-methylpyrazol-3-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide

C12H9F6N3O2S — CID 35937348

IUPACN-(1-methylpyrazol-3-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide
SMILESCn1ccc(NS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1
InChIInChI=1S/C12H9F6N3O2S/c1-21-3-2-10(19-21)20-24(22,23)9-5-7(11(13,14)15)4-8(6-9)12(16,17)18/h2-6H,1H3,(H,19,20)
InChIKeyRHPRCYAOHHHDBV-UHFFFAOYSA-N
MW373.28 g/mol
LogP3.26
Rot. Bonds3

About N-(1-methylpyrazol-3-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide

N-(1-methylpyrazol-3-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide (PubChem CID 35937348) has the molecular formula C12H9F6N3O2S and a molecular weight of 373.28 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide
PubChem CID35937348
Molecular FormulaC12H9F6N3O2S
Molecular Weight373.28 g/mol
Exact Mass373.03
IUPAC NameN-(1-methylpyrazol-3-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide
SMILESCn1ccc(NS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1
InChIInChI=1S/C12H9F6N3O2S/c1-21-3-2-10(19-21)20-24(22,23)9-5-7(11(13,14)15)4-8(6-9)12(16,17)18/h2-6H,1H3,(H,19,20)
InChIKeyRHPRCYAOHHHDBV-UHFFFAOYSA-N
XLogP3.26
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide (CID 35937348) is N-(1-methylpyrazol-3-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide is Cn1ccc(NS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide?
The InChIKey is RHPRCYAOHHHDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F6N3O2S/c1-21-3-2-10(19-21)20-24(22,23)9-5-7(11(13,14)15)4-8(6-9)12(16,17)18/h2-6H,1H3,(H,19,20).
What are the key properties of N-(1-methylpyrazol-3-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide?
N-(1-methylpyrazol-3-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide has a molecular weight of 373.28 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 35937348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).