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

C19H19F2N3O3S — CID 46972192

IUPAC1-(difluoromethyl)-N-[(4-methoxyphenyl)-phenylmethyl]-5-methylpyrazole-4-sulfonamide
SMILESCOc1ccc(C(NS(=O)(=O)c2cnn(C(F)F)c2C)c2ccccc2)cc1
InChIInChI=1S/C19H19F2N3O3S/c1-13-17(12-22-24(13)19(20)21)28(25,26)23-18(14-6-4-3-5-7-14)15-8-10-16(27-2)11-9-15/h3-12,18-19,23H,1-2H3
InChIKeyZTEJHNMUQGETRZ-UHFFFAOYSA-N
MW407.44 g/mol
LogP3.66
Rot. Bonds7

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

1-(difluoromethyl)-N-[(4-methoxyphenyl)-phenylmethyl]-5-methylpyrazole-4-sulfonamide (PubChem CID 46972192) has the molecular formula C19H19F2N3O3S and a molecular weight of 407.44 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[(4-methoxyphenyl)-phenylmethyl]-5-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[(4-methoxyphenyl)-phenylmethyl]-5-methylpyrazole-4-sulfonamide
PubChem CID46972192
Molecular FormulaC19H19F2N3O3S
Molecular Weight407.44 g/mol
Exact Mass407.11
IUPAC Name1-(difluoromethyl)-N-[(4-methoxyphenyl)-phenylmethyl]-5-methylpyrazole-4-sulfonamide
SMILESCOc1ccc(C(NS(=O)(=O)c2cnn(C(F)F)c2C)c2ccccc2)cc1
InChIInChI=1S/C19H19F2N3O3S/c1-13-17(12-22-24(13)19(20)21)28(25,26)23-18(14-6-4-3-5-7-14)15-8-10-16(27-2)11-9-15/h3-12,18-19,23H,1-2H3
InChIKeyZTEJHNMUQGETRZ-UHFFFAOYSA-N
XLogP3.66
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(difluoromethyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]-5-methylpyrazole-4-sulfonamide
CID 51593919
N-[(S)-(4-methoxyphenyl)-phenylmethyl]naphthalene-2-sulfonamide
CID 1259617
2-(difluoromethyl)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]pyrazole-3-carboxamide
CID 51596087
1-(difluoromethyl)-5-methylpyrazole-4-sulfonyl fluoride
CID 165460480
N-benzhydryl-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 100668632
1-(difluoromethyl)-5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 19614603
N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
CID 51687107
1-ethyl-N-[1-(3-methoxyphenyl)ethyl]-5-methylpyrazole-4-sulfonamide
CID 6464788
1-(difluoromethyl)-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]-5-methylpyrazole-4-sulfonamide
CID 53102493
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide
CID 81368862
4-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzenesulfonamide
CID 46653959
N-benzhydryl-2-(trifluoromethyl)benzenesulfonamide
CID 2568637

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[(4-methoxyphenyl)-phenylmethyl]-5-methylpyrazole-4-sulfonamide?
The IUPAC name of 1-(difluoromethyl)-N-[(4-methoxyphenyl)-phenylmethyl]-5-methylpyrazole-4-sulfonamide (CID 46972192) is 1-(difluoromethyl)-N-[(4-methoxyphenyl)-phenylmethyl]-5-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-(difluoromethyl)-N-[(4-methoxyphenyl)-phenylmethyl]-5-methylpyrazole-4-sulfonamide?
The canonical SMILES for 1-(difluoromethyl)-N-[(4-methoxyphenyl)-phenylmethyl]-5-methylpyrazole-4-sulfonamide is COc1ccc(C(NS(=O)(=O)c2cnn(C(F)F)c2C)c2ccccc2)cc1.
What is the InChIKey of 1-(difluoromethyl)-N-[(4-methoxyphenyl)-phenylmethyl]-5-methylpyrazole-4-sulfonamide?
The InChIKey is ZTEJHNMUQGETRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O3S/c1-13-17(12-22-24(13)19(20)21)28(25,26)23-18(14-6-4-3-5-7-14)15-8-10-16(27-2)11-9-15/h3-12,18-19,23H,1-2H3.
What are the key properties of 1-(difluoromethyl)-N-[(4-methoxyphenyl)-phenylmethyl]-5-methylpyrazole-4-sulfonamide?
1-(difluoromethyl)-N-[(4-methoxyphenyl)-phenylmethyl]-5-methylpyrazole-4-sulfonamide has a molecular weight of 407.44 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-[(4-methoxyphenyl)-phenylmethyl]-5-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 46972192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).