1-(difluoromethyl)-5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazole-4-sulfonamide

C15H14F2N4O2S2 — CID 19614603

IUPAC1-(difluoromethyl)-5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NCc2csc(-c3ccccc3)n2)cnn1C(F)F
InChIInChI=1S/C15H14F2N4O2S2/c1-10-13(8-18-21(10)15(16)17)25(22,23)19-7-12-9-24-14(20-12)11-5-3-2-4-6-11/h2-6,8-9,15,19H,7H2,1H3
InChIKeyZWBNUDFLWGOPDT-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.19
Rot. Bonds6

About 1-(difluoromethyl)-5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazole-4-sulfonamide

1-(difluoromethyl)-5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazole-4-sulfonamide (PubChem CID 19614603) has the molecular formula C15H14F2N4O2S2 and a molecular weight of 384.43 g/mol. Its IUPAC name is 1-(difluoromethyl)-5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(difluoromethyl)-5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazole-4-sulfonamide
PubChem CID19614603
Molecular FormulaC15H14F2N4O2S2
Molecular Weight384.43 g/mol
Exact Mass384.05
IUPAC Name1-(difluoromethyl)-5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NCc2csc(-c3ccccc3)n2)cnn1C(F)F
InChIInChI=1S/C15H14F2N4O2S2/c1-10-13(8-18-21(10)15(16)17)25(22,23)19-7-12-9-24-14(20-12)11-5-3-2-4-6-11/h2-6,8-9,15,19H,7H2,1H3
InChIKeyZWBNUDFLWGOPDT-UHFFFAOYSA-N
XLogP3.19
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(difluoromethyl)-5-methyl-N-[[2-(4-methylpiperidin-1-yl)phenyl]methyl]pyrazole-4-sulfonamide
CID 19614992
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 47044572
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 166611174
(1S)-1-(4-methylphenyl)-1-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine
CID 9393421
(2R)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 95277558
5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 133331350
(2S)-2-[(4-methylphenyl)sulfonylamino]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
CID 87040272
1-(difluoromethyl)-5-methyl-N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]pyrazole-4-sulfonamide
CID 53092652
1-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
CID 35534129
4-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methylsulfamoyl]benzoic acid
CID 108784354
1-(difluoromethyl)-N-[[3-[(4-ethoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-5-methylpyrazole-4-sulfonamide
CID 53020740
4-ethyl-2-phenyl-1,3-thiazole
CID 5324799

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-(difluoromethyl)-5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazole-4-sulfonamide (CID 19614603) is 1-(difluoromethyl)-5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(difluoromethyl)-5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-(difluoromethyl)-5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazole-4-sulfonamide is Cc1c(S(=O)(=O)NCc2csc(-c3ccccc3)n2)cnn1C(F)F.
What is the InChIKey of 1-(difluoromethyl)-5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazole-4-sulfonamide?
The InChIKey is ZWBNUDFLWGOPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4O2S2/c1-10-13(8-18-21(10)15(16)17)25(22,23)19-7-12-9-24-14(20-12)11-5-3-2-4-6-11/h2-6,8-9,15,19H,7H2,1H3.
What are the key properties of 1-(difluoromethyl)-5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazole-4-sulfonamide?
1-(difluoromethyl)-5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazole-4-sulfonamide has a molecular weight of 384.43 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 19614603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).