7-fluoro-1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylspiro[2H-indole-3,1'-cyclopentane]

C22H22FN3O3S — CID 167859735

IUPAC7-fluoro-1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylspiro[2H-indole-3,1'-cyclopentane]
SMILESCOc1ccccc1-n1cc(S(=O)(=O)N2CC3(CCCC3)c3cccc(F)c32)cn1
InChIInChI=1S/C22H22FN3O3S/c1-29-20-10-3-2-9-19(20)25-14-16(13-24-25)30(27,28)26-15-22(11-4-5-12-22)17-7-6-8-18(23)21(17)26/h2-3,6-10,13-14H,4-5,11-12,15H2,1H3
InChIKeyKSZXRKWZEGHOFC-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.04
Rot. Bonds4

About 7-fluoro-1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylspiro[2H-indole-3,1'-cyclopentane]

7-fluoro-1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylspiro[2H-indole-3,1'-cyclopentane] (PubChem CID 167859735) has the molecular formula C22H22FN3O3S and a molecular weight of 427.50 g/mol. Its IUPAC name is 7-fluoro-1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylspiro[2H-indole-3,1'-cyclopentane].

Molecular Properties

Compound Name7-fluoro-1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylspiro[2H-indole-3,1'-cyclopentane]
PubChem CID167859735
Molecular FormulaC22H22FN3O3S
Molecular Weight427.50 g/mol
Exact Mass427.14
IUPAC Name7-fluoro-1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylspiro[2H-indole-3,1'-cyclopentane]
SMILESCOc1ccccc1-n1cc(S(=O)(=O)N2CC3(CCCC3)c3cccc(F)c32)cn1
InChIInChI=1S/C22H22FN3O3S/c1-29-20-10-3-2-9-19(20)25-14-16(13-24-25)30(27,28)26-15-22(11-4-5-12-22)17-7-6-8-18(23)21(17)26/h2-3,6-10,13-14H,4-5,11-12,15H2,1H3
InChIKeyKSZXRKWZEGHOFC-UHFFFAOYSA-N
XLogP4.04
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylspiro[2H-indole-3,1'-cyclopentane]?
The IUPAC name of 7-fluoro-1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylspiro[2H-indole-3,1'-cyclopentane] (CID 167859735) is 7-fluoro-1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylspiro[2H-indole-3,1'-cyclopentane].
What is the SMILES notation for 7-fluoro-1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylspiro[2H-indole-3,1'-cyclopentane]?
The canonical SMILES for 7-fluoro-1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylspiro[2H-indole-3,1'-cyclopentane] is COc1ccccc1-n1cc(S(=O)(=O)N2CC3(CCCC3)c3cccc(F)c32)cn1.
What is the InChIKey of 7-fluoro-1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylspiro[2H-indole-3,1'-cyclopentane]?
The InChIKey is KSZXRKWZEGHOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3S/c1-29-20-10-3-2-9-19(20)25-14-16(13-24-25)30(27,28)26-15-22(11-4-5-12-22)17-7-6-8-18(23)21(17)26/h2-3,6-10,13-14H,4-5,11-12,15H2,1H3.
What are the key properties of 7-fluoro-1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylspiro[2H-indole-3,1'-cyclopentane]?
7-fluoro-1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylspiro[2H-indole-3,1'-cyclopentane] has a molecular weight of 427.50 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylspiro[2H-indole-3,1'-cyclopentane] is sourced from PubChem (CID 167859735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).