4-cyclopropyl-7,8-difluoro-5-thiophen-2-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline

C17H13F2N3O2S2 — CID 45485422

IUPAC4-cyclopropyl-7,8-difluoro-5-thiophen-2-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESO=S(=O)(c1cccs1)N1c2cc(F)c(F)cc2-c2[nH]ncc2C1C1CC1
InChIInChI=1S/C17H13F2N3O2S2/c18-12-6-10-14(7-13(12)19)22(26(23,24)15-2-1-5-25-15)17(9-3-4-9)11-8-20-21-16(10)11/h1-2,5-9,17H,3-4H2,(H,20,21)
InChIKeyVILRXGUHYYSGJD-UHFFFAOYSA-N
MW393.44 g/mol
LogP4.08
Rot. Bonds3

About 4-cyclopropyl-7,8-difluoro-5-thiophen-2-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline

4-cyclopropyl-7,8-difluoro-5-thiophen-2-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline (PubChem CID 45485422) has the molecular formula C17H13F2N3O2S2 and a molecular weight of 393.44 g/mol. Its IUPAC name is 4-cyclopropyl-7,8-difluoro-5-thiophen-2-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline.

Molecular Properties

Compound Name4-cyclopropyl-7,8-difluoro-5-thiophen-2-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
PubChem CID45485422
Molecular FormulaC17H13F2N3O2S2
Molecular Weight393.44 g/mol
Exact Mass393.04
IUPAC Name4-cyclopropyl-7,8-difluoro-5-thiophen-2-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESO=S(=O)(c1cccs1)N1c2cc(F)c(F)cc2-c2[nH]ncc2C1C1CC1
InChIInChI=1S/C17H13F2N3O2S2/c18-12-6-10-14(7-13(12)19)22(26(23,24)15-2-1-5-25-15)17(9-3-4-9)11-8-20-21-16(10)11/h1-2,5-9,17H,3-4H2,(H,20,21)
InChIKeyVILRXGUHYYSGJD-UHFFFAOYSA-N
XLogP4.08
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-7,8-difluoro-5-thiophen-2-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The IUPAC name of 4-cyclopropyl-7,8-difluoro-5-thiophen-2-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline (CID 45485422) is 4-cyclopropyl-7,8-difluoro-5-thiophen-2-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline.
What is the SMILES notation for 4-cyclopropyl-7,8-difluoro-5-thiophen-2-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The canonical SMILES for 4-cyclopropyl-7,8-difluoro-5-thiophen-2-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline is O=S(=O)(c1cccs1)N1c2cc(F)c(F)cc2-c2[nH]ncc2C1C1CC1.
What is the InChIKey of 4-cyclopropyl-7,8-difluoro-5-thiophen-2-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The InChIKey is VILRXGUHYYSGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O2S2/c18-12-6-10-14(7-13(12)19)22(26(23,24)15-2-1-5-25-15)17(9-3-4-9)11-8-20-21-16(10)11/h1-2,5-9,17H,3-4H2,(H,20,21).
What are the key properties of 4-cyclopropyl-7,8-difluoro-5-thiophen-2-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
4-cyclopropyl-7,8-difluoro-5-thiophen-2-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline has a molecular weight of 393.44 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-7,8-difluoro-5-thiophen-2-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline is sourced from PubChem (CID 45485422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).