N-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide

C11H10F3N3O2S — CID 5014150

IUPACN-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide
SMILESCn1nccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H10F3N3O2S/c1-17-10(6-7-15-17)16-20(18,19)9-4-2-8(3-5-9)11(12,13)14/h2-7,16H,1H3
InChIKeyODUOLDJAKWTBDU-UHFFFAOYSA-N
MW305.28 g/mol
LogP2.24
Rot. Bonds3

About N-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide

N-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 5014150) has the molecular formula C11H10F3N3O2S and a molecular weight of 305.28 g/mol. Its IUPAC name is N-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide
PubChem CID5014150
Molecular FormulaC11H10F3N3O2S
Molecular Weight305.28 g/mol
Exact Mass305.04
IUPAC NameN-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide
SMILESCn1nccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H10F3N3O2S/c1-17-10(6-7-15-17)16-20(18,19)9-4-2-8(3-5-9)11(12,13)14/h2-7,16H,1H3
InChIKeyODUOLDJAKWTBDU-UHFFFAOYSA-N
XLogP2.24
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide (CID 5014150) is N-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide is Cn1nccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is ODUOLDJAKWTBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2S/c1-17-10(6-7-15-17)16-20(18,19)9-4-2-8(3-5-9)11(12,13)14/h2-7,16H,1H3.
What are the key properties of N-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide?
N-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 305.28 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 5014150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).