N-ethyl-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide

C15H18F3N3O2S — CID 52821337

IUPACN-ethyl-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCCN(Cc1cnn(C)c1)S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1
InChIInChI=1S/C15H18F3N3O2S/c1-4-21(10-12-8-19-20(3)9-12)24(22,23)13-6-5-11(2)14(7-13)15(16,17)18/h5-9H,4,10H2,1-3H3
InChIKeyALSMJMOAQKTLHO-UHFFFAOYSA-N
MW361.39 g/mol
LogP2.96
Rot. Bonds5

About N-ethyl-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide

N-ethyl-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 52821337) has the molecular formula C15H18F3N3O2S and a molecular weight of 361.39 g/mol. Its IUPAC name is N-ethyl-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID52821337
Molecular FormulaC15H18F3N3O2S
Molecular Weight361.39 g/mol
Exact Mass361.11
IUPAC NameN-ethyl-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCCN(Cc1cnn(C)c1)S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1
InChIInChI=1S/C15H18F3N3O2S/c1-4-21(10-12-8-19-20(3)9-12)24(22,23)13-6-5-11(2)14(7-13)15(16,17)18/h5-9H,4,10H2,1-3H3
InChIKeyALSMJMOAQKTLHO-UHFFFAOYSA-N
XLogP2.96
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-ethyl-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide (CID 52821337) is N-ethyl-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide is CCN(Cc1cnn(C)c1)S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1.
What is the InChIKey of N-ethyl-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is ALSMJMOAQKTLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O2S/c1-4-21(10-12-8-19-20(3)9-12)24(22,23)13-6-5-11(2)14(7-13)15(16,17)18/h5-9H,4,10H2,1-3H3.
What are the key properties of N-ethyl-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
N-ethyl-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 361.39 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 52821337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).