N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-4-(difluoromethyl)thiophene-3-sulfonamide

C13H15F2N3O2S2 — CID 139019112

IUPACN-[1-(1-cyclopropylethyl)pyrazol-4-yl]-4-(difluoromethyl)thiophene-3-sulfonamide
SMILESCC(C1CC1)n1cc(NS(=O)(=O)c2cscc2C(F)F)cn1
InChIInChI=1S/C13H15F2N3O2S2/c1-8(9-2-3-9)18-5-10(4-16-18)17-22(19,20)12-7-21-6-11(12)13(14)15/h4-9,13,17H,2-3H2,1H3
InChIKeyYOLGOKALCMWYFH-UHFFFAOYSA-N
MW347.41 g/mol
LogP3.65
Rot. Bonds6

About N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-4-(difluoromethyl)thiophene-3-sulfonamide

N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-4-(difluoromethyl)thiophene-3-sulfonamide (PubChem CID 139019112) has the molecular formula C13H15F2N3O2S2 and a molecular weight of 347.41 g/mol. Its IUPAC name is N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-4-(difluoromethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[1-(1-cyclopropylethyl)pyrazol-4-yl]-4-(difluoromethyl)thiophene-3-sulfonamide
PubChem CID139019112
Molecular FormulaC13H15F2N3O2S2
Molecular Weight347.41 g/mol
Exact Mass347.06
IUPAC NameN-[1-(1-cyclopropylethyl)pyrazol-4-yl]-4-(difluoromethyl)thiophene-3-sulfonamide
SMILESCC(C1CC1)n1cc(NS(=O)(=O)c2cscc2C(F)F)cn1
InChIInChI=1S/C13H15F2N3O2S2/c1-8(9-2-3-9)18-5-10(4-16-18)17-22(19,20)12-7-21-6-11(12)13(14)15/h4-9,13,17H,2-3H2,1H3
InChIKeyYOLGOKALCMWYFH-UHFFFAOYSA-N
XLogP3.65
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-4-(difluoromethyl)thiophene-3-sulfonamide?
The IUPAC name of N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-4-(difluoromethyl)thiophene-3-sulfonamide (CID 139019112) is N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-4-(difluoromethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-4-(difluoromethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-4-(difluoromethyl)thiophene-3-sulfonamide is CC(C1CC1)n1cc(NS(=O)(=O)c2cscc2C(F)F)cn1.
What is the InChIKey of N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-4-(difluoromethyl)thiophene-3-sulfonamide?
The InChIKey is YOLGOKALCMWYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O2S2/c1-8(9-2-3-9)18-5-10(4-16-18)17-22(19,20)12-7-21-6-11(12)13(14)15/h4-9,13,17H,2-3H2,1H3.
What are the key properties of N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-4-(difluoromethyl)thiophene-3-sulfonamide?
N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-4-(difluoromethyl)thiophene-3-sulfonamide has a molecular weight of 347.41 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-4-(difluoromethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 139019112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).