1-(difluoromethyl)-3,5-dimethyl-N-[1-(4-methylphenyl)propyl]pyrazole-4-sulfonamide

C16H21F2N3O2S — CID 19582030

IUPAC1-(difluoromethyl)-3,5-dimethyl-N-[1-(4-methylphenyl)propyl]pyrazole-4-sulfonamide
SMILESCCC(NS(=O)(=O)c1c(C)nn(C(F)F)c1C)c1ccc(C)cc1
InChIInChI=1S/C16H21F2N3O2S/c1-5-14(13-8-6-10(2)7-9-13)20-24(22,23)15-11(3)19-21(12(15)4)16(17)18/h6-9,14,16,20H,5H2,1-4H3
InChIKeyNMEGIEQEANPDJT-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.63
Rot. Bonds6

About 1-(difluoromethyl)-3,5-dimethyl-N-[1-(4-methylphenyl)propyl]pyrazole-4-sulfonamide

1-(difluoromethyl)-3,5-dimethyl-N-[1-(4-methylphenyl)propyl]pyrazole-4-sulfonamide (PubChem CID 19582030) has the molecular formula C16H21F2N3O2S and a molecular weight of 357.43 g/mol. Its IUPAC name is 1-(difluoromethyl)-3,5-dimethyl-N-[1-(4-methylphenyl)propyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(difluoromethyl)-3,5-dimethyl-N-[1-(4-methylphenyl)propyl]pyrazole-4-sulfonamide
PubChem CID19582030
Molecular FormulaC16H21F2N3O2S
Molecular Weight357.43 g/mol
Exact Mass357.13
IUPAC Name1-(difluoromethyl)-3,5-dimethyl-N-[1-(4-methylphenyl)propyl]pyrazole-4-sulfonamide
SMILESCCC(NS(=O)(=O)c1c(C)nn(C(F)F)c1C)c1ccc(C)cc1
InChIInChI=1S/C16H21F2N3O2S/c1-5-14(13-8-6-10(2)7-9-13)20-24(22,23)15-11(3)19-21(12(15)4)16(17)18/h6-9,14,16,20H,5H2,1-4H3
InChIKeyNMEGIEQEANPDJT-UHFFFAOYSA-N
XLogP3.63
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-3,5-dimethyl-N-[1-(4-methylphenyl)propyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-(difluoromethyl)-3,5-dimethyl-N-[1-(4-methylphenyl)propyl]pyrazole-4-sulfonamide (CID 19582030) is 1-(difluoromethyl)-3,5-dimethyl-N-[1-(4-methylphenyl)propyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(difluoromethyl)-3,5-dimethyl-N-[1-(4-methylphenyl)propyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-(difluoromethyl)-3,5-dimethyl-N-[1-(4-methylphenyl)propyl]pyrazole-4-sulfonamide is CCC(NS(=O)(=O)c1c(C)nn(C(F)F)c1C)c1ccc(C)cc1.
What is the InChIKey of 1-(difluoromethyl)-3,5-dimethyl-N-[1-(4-methylphenyl)propyl]pyrazole-4-sulfonamide?
The InChIKey is NMEGIEQEANPDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3O2S/c1-5-14(13-8-6-10(2)7-9-13)20-24(22,23)15-11(3)19-21(12(15)4)16(17)18/h6-9,14,16,20H,5H2,1-4H3.
What are the key properties of 1-(difluoromethyl)-3,5-dimethyl-N-[1-(4-methylphenyl)propyl]pyrazole-4-sulfonamide?
1-(difluoromethyl)-3,5-dimethyl-N-[1-(4-methylphenyl)propyl]pyrazole-4-sulfonamide has a molecular weight of 357.43 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3,5-dimethyl-N-[1-(4-methylphenyl)propyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 19582030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).