1-(difluoromethyl)-5-methyl-N-(2-morpholin-4-yl-2-phenylethyl)pyrazole-4-sulfonamide

C17H22F2N4O3S — CID 19614561

IUPAC1-(difluoromethyl)-5-methyl-N-(2-morpholin-4-yl-2-phenylethyl)pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NCC(c2ccccc2)N2CCOCC2)cnn1C(F)F
InChIInChI=1S/C17H22F2N4O3S/c1-13-16(12-20-23(13)17(18)19)27(24,25)21-11-15(14-5-3-2-4-6-14)22-7-9-26-10-8-22/h2-6,12,15,17,21H,7-11H2,1H3
InChIKeyZFAPZIDDHQMPFW-UHFFFAOYSA-N
MW400.45 g/mol
LogP1.94
Rot. Bonds7

About 1-(difluoromethyl)-5-methyl-N-(2-morpholin-4-yl-2-phenylethyl)pyrazole-4-sulfonamide

1-(difluoromethyl)-5-methyl-N-(2-morpholin-4-yl-2-phenylethyl)pyrazole-4-sulfonamide (PubChem CID 19614561) has the molecular formula C17H22F2N4O3S and a molecular weight of 400.45 g/mol. Its IUPAC name is 1-(difluoromethyl)-5-methyl-N-(2-morpholin-4-yl-2-phenylethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(difluoromethyl)-5-methyl-N-(2-morpholin-4-yl-2-phenylethyl)pyrazole-4-sulfonamide
PubChem CID19614561
Molecular FormulaC17H22F2N4O3S
Molecular Weight400.45 g/mol
Exact Mass400.14
IUPAC Name1-(difluoromethyl)-5-methyl-N-(2-morpholin-4-yl-2-phenylethyl)pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NCC(c2ccccc2)N2CCOCC2)cnn1C(F)F
InChIInChI=1S/C17H22F2N4O3S/c1-13-16(12-20-23(13)17(18)19)27(24,25)21-11-15(14-5-3-2-4-6-14)22-7-9-26-10-8-22/h2-6,12,15,17,21H,7-11H2,1H3
InChIKeyZFAPZIDDHQMPFW-UHFFFAOYSA-N
XLogP1.94
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-5-methyl-N-(2-morpholin-4-yl-2-phenylethyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(difluoromethyl)-5-methyl-N-(2-morpholin-4-yl-2-phenylethyl)pyrazole-4-sulfonamide (CID 19614561) is 1-(difluoromethyl)-5-methyl-N-(2-morpholin-4-yl-2-phenylethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(difluoromethyl)-5-methyl-N-(2-morpholin-4-yl-2-phenylethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(difluoromethyl)-5-methyl-N-(2-morpholin-4-yl-2-phenylethyl)pyrazole-4-sulfonamide is Cc1c(S(=O)(=O)NCC(c2ccccc2)N2CCOCC2)cnn1C(F)F.
What is the InChIKey of 1-(difluoromethyl)-5-methyl-N-(2-morpholin-4-yl-2-phenylethyl)pyrazole-4-sulfonamide?
The InChIKey is ZFAPZIDDHQMPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N4O3S/c1-13-16(12-20-23(13)17(18)19)27(24,25)21-11-15(14-5-3-2-4-6-14)22-7-9-26-10-8-22/h2-6,12,15,17,21H,7-11H2,1H3.
What are the key properties of 1-(difluoromethyl)-5-methyl-N-(2-morpholin-4-yl-2-phenylethyl)pyrazole-4-sulfonamide?
1-(difluoromethyl)-5-methyl-N-(2-morpholin-4-yl-2-phenylethyl)pyrazole-4-sulfonamide has a molecular weight of 400.45 g/mol, XLogP of 1.94, 7 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-morpholin-4-yl-2-phenylethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 19614561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).