1-[4-(difluoromethyl)-2-pyridinyl]-N-(1-ethyl-2,3-dihydroindazol-7-yl)pyrazole-4-sulfonamide

C18H18F2N6O2S — CID 170968996

IUPAC1-[4-(difluoromethyl)-2-pyridinyl]-N-(1-ethyl-2,3-dihydroindazol-7-yl)pyrazole-4-sulfonamide
SMILESCCN1NCc2cccc(NS(=O)(=O)c3cnn(-c4cc(C(F)F)ccn4)c3)c21
InChIInChI=1S/C18H18F2N6O2S/c1-2-25-17-13(9-22-25)4-3-5-15(17)24-29(27,28)14-10-23-26(11-14)16-8-12(18(19)20)6-7-21-16/h3-8,10-11,18,22,24H,2,9H2,1H3
InChIKeyTYMKZCRTYHXELL-UHFFFAOYSA-N
MW420.45 g/mol
LogP2.85
Rot. Bonds6

About 1-[4-(difluoromethyl)-2-pyridinyl]-N-(1-ethyl-2,3-dihydroindazol-7-yl)pyrazole-4-sulfonamide

1-[4-(difluoromethyl)-2-pyridinyl]-N-(1-ethyl-2,3-dihydroindazol-7-yl)pyrazole-4-sulfonamide (PubChem CID 170968996) has the molecular formula C18H18F2N6O2S and a molecular weight of 420.45 g/mol. Its IUPAC name is 1-[4-(difluoromethyl)-2-pyridinyl]-N-(1-ethyl-2,3-dihydroindazol-7-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[4-(difluoromethyl)-2-pyridinyl]-N-(1-ethyl-2,3-dihydroindazol-7-yl)pyrazole-4-sulfonamide
PubChem CID170968996
Molecular FormulaC18H18F2N6O2S
Molecular Weight420.45 g/mol
Exact Mass420.12
IUPAC Name1-[4-(difluoromethyl)-2-pyridinyl]-N-(1-ethyl-2,3-dihydroindazol-7-yl)pyrazole-4-sulfonamide
SMILESCCN1NCc2cccc(NS(=O)(=O)c3cnn(-c4cc(C(F)F)ccn4)c3)c21
InChIInChI=1S/C18H18F2N6O2S/c1-2-25-17-13(9-22-25)4-3-5-15(17)24-29(27,28)14-10-23-26(11-14)16-8-12(18(19)20)6-7-21-16/h3-8,10-11,18,22,24H,2,9H2,1H3
InChIKeyTYMKZCRTYHXELL-UHFFFAOYSA-N
XLogP2.85
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethyl)-2-pyridinyl]-N-(1-ethyl-2,3-dihydroindazol-7-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-[4-(difluoromethyl)-2-pyridinyl]-N-(1-ethyl-2,3-dihydroindazol-7-yl)pyrazole-4-sulfonamide (CID 170968996) is 1-[4-(difluoromethyl)-2-pyridinyl]-N-(1-ethyl-2,3-dihydroindazol-7-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-[4-(difluoromethyl)-2-pyridinyl]-N-(1-ethyl-2,3-dihydroindazol-7-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-[4-(difluoromethyl)-2-pyridinyl]-N-(1-ethyl-2,3-dihydroindazol-7-yl)pyrazole-4-sulfonamide is CCN1NCc2cccc(NS(=O)(=O)c3cnn(-c4cc(C(F)F)ccn4)c3)c21.
What is the InChIKey of 1-[4-(difluoromethyl)-2-pyridinyl]-N-(1-ethyl-2,3-dihydroindazol-7-yl)pyrazole-4-sulfonamide?
The InChIKey is TYMKZCRTYHXELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N6O2S/c1-2-25-17-13(9-22-25)4-3-5-15(17)24-29(27,28)14-10-23-26(11-14)16-8-12(18(19)20)6-7-21-16/h3-8,10-11,18,22,24H,2,9H2,1H3.
What are the key properties of 1-[4-(difluoromethyl)-2-pyridinyl]-N-(1-ethyl-2,3-dihydroindazol-7-yl)pyrazole-4-sulfonamide?
1-[4-(difluoromethyl)-2-pyridinyl]-N-(1-ethyl-2,3-dihydroindazol-7-yl)pyrazole-4-sulfonamide has a molecular weight of 420.45 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethyl)-2-pyridinyl]-N-(1-ethyl-2,3-dihydroindazol-7-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 170968996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).