1-(difluoromethyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]-5-methylpyrazole-4-sulfonamide

C15H19F2N3O3S — CID 51593919

IUPAC1-(difluoromethyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]-5-methylpyrazole-4-sulfonamide
SMILESCC[C@H](NS(=O)(=O)c1cnn(C(F)F)c1C)c1ccc(OC)cc1
InChIInChI=1S/C15H19F2N3O3S/c1-4-13(11-5-7-12(23-3)8-6-11)19-24(21,22)14-9-18-20(10(14)2)15(16)17/h5-9,13,15,19H,4H2,1-3H3/t13-/m0/s1
InChIKeySFSGRULHEJUSLZ-ZDUSSCGKSA-N
MW359.40 g/mol
LogP3.02
Rot. Bonds7

About 1-(difluoromethyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]-5-methylpyrazole-4-sulfonamide

1-(difluoromethyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]-5-methylpyrazole-4-sulfonamide (PubChem CID 51593919) has the molecular formula C15H19F2N3O3S and a molecular weight of 359.40 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]-5-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]-5-methylpyrazole-4-sulfonamide
PubChem CID51593919
Molecular FormulaC15H19F2N3O3S
Molecular Weight359.40 g/mol
Exact Mass359.11
IUPAC Name1-(difluoromethyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]-5-methylpyrazole-4-sulfonamide
SMILESCC[C@H](NS(=O)(=O)c1cnn(C(F)F)c1C)c1ccc(OC)cc1
InChIInChI=1S/C15H19F2N3O3S/c1-4-13(11-5-7-12(23-3)8-6-11)19-24(21,22)14-9-18-20(10(14)2)15(16)17/h5-9,13,15,19H,4H2,1-3H3/t13-/m0/s1
InChIKeySFSGRULHEJUSLZ-ZDUSSCGKSA-N
XLogP3.02
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(difluoromethyl)-N-[(4-methoxyphenyl)-phenylmethyl]-5-methylpyrazole-4-sulfonamide
CID 46972192
N-[1-(4-methoxyphenyl)propyl]-1H-pyrazole-4-sulfonamide
CID 61248597
4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3,5-dimethylbenzenesulfonamide
CID 112823035
4-chloro-N-[(1S)-1-(4-methoxyphenyl)propyl]benzenesulfonamide
CID 40753625
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-nitrobenzenesulfonamide
CID 28635365
N-[1-(4-butan-2-ylphenyl)propyl]-2,4-dimethoxybenzenesulfonamide
CID 22201208
4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3-methylbenzenesulfonamide
CID 43904682
1-(difluoromethyl)-5-methyl-4-methylsulfonylpyrazole
CID 177135675
5-bromo-N-[1-(4-methoxyphenyl)propyl]thiophene-2-sulfonamide
CID 60652296
1-(difluoromethyl)-5-methylpyrazole-4-sulfonyl fluoride
CID 165460480
1-methoxy-4-[1-[[methyl(2-methylpropyl)sulfamoyl]amino]propyl]benzene
CID 75472854
1-(difluoromethyl)-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]-5-methylpyrazole-4-sulfonamide
CID 53102493

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]-5-methylpyrazole-4-sulfonamide?
The IUPAC name of 1-(difluoromethyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]-5-methylpyrazole-4-sulfonamide (CID 51593919) is 1-(difluoromethyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]-5-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-(difluoromethyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]-5-methylpyrazole-4-sulfonamide?
The canonical SMILES for 1-(difluoromethyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]-5-methylpyrazole-4-sulfonamide is CC[C@H](NS(=O)(=O)c1cnn(C(F)F)c1C)c1ccc(OC)cc1.
What is the InChIKey of 1-(difluoromethyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]-5-methylpyrazole-4-sulfonamide?
The InChIKey is SFSGRULHEJUSLZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19F2N3O3S/c1-4-13(11-5-7-12(23-3)8-6-11)19-24(21,22)14-9-18-20(10(14)2)15(16)17/h5-9,13,15,19H,4H2,1-3H3/t13-/m0/s1.
What are the key properties of 1-(difluoromethyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]-5-methylpyrazole-4-sulfonamide?
1-(difluoromethyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]-5-methylpyrazole-4-sulfonamide has a molecular weight of 359.40 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]-5-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 51593919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).