N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide

C15H18F3N3O2S — CID 47062357

IUPACN-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)N(Cc1cnn(C)c1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H18F3N3O2S/c1-11(2)21(10-12-8-19-20(3)9-12)24(22,23)14-6-4-5-13(7-14)15(16,17)18/h4-9,11H,10H2,1-3H3
InChIKeyPWYZBYYNLDUCRD-UHFFFAOYSA-N
MW361.39 g/mol
LogP3.04
Rot. Bonds5

About N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide

N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 47062357) has the molecular formula C15H18F3N3O2S and a molecular weight of 361.39 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide
PubChem CID47062357
Molecular FormulaC15H18F3N3O2S
Molecular Weight361.39 g/mol
Exact Mass361.11
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)N(Cc1cnn(C)c1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H18F3N3O2S/c1-11(2)21(10-12-8-19-20(3)9-12)24(22,23)14-6-4-5-13(7-14)15(16,17)18/h4-9,11H,10H2,1-3H3
InChIKeyPWYZBYYNLDUCRD-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide (CID 47062357) is N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide is CC(C)N(Cc1cnn(C)c1)S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is PWYZBYYNLDUCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O2S/c1-11(2)21(10-12-8-19-20(3)9-12)24(22,23)14-6-4-5-13(7-14)15(16,17)18/h4-9,11H,10H2,1-3H3.
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide?
N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 361.39 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 47062357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).