1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonyl-2,3-dihydroindole

C21H17N3O2S2 — CID 42352164

IUPAC1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonyl-2,3-dihydroindole
SMILESO=S(=O)(c1cn(-c2ccccc2)nc1-c1cccs1)N1CCc2ccccc21
InChIInChI=1S/C21H17N3O2S2/c25-28(26,24-13-12-16-7-4-5-10-18(16)24)20-15-23(17-8-2-1-3-9-17)22-21(20)19-11-6-14-27-19/h1-11,14-15H,12-13H2
InChIKeyHVPKNEXAZUHBSX-UHFFFAOYSA-N
MW407.52 g/mol
LogP4.35
Rot. Bonds4

About 1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonyl-2,3-dihydroindole

1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonyl-2,3-dihydroindole (PubChem CID 42352164) has the molecular formula C21H17N3O2S2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonyl-2,3-dihydroindole
PubChem CID42352164
Molecular FormulaC21H17N3O2S2
Molecular Weight407.52 g/mol
Exact Mass407.08
IUPAC Name1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonyl-2,3-dihydroindole
SMILESO=S(=O)(c1cn(-c2ccccc2)nc1-c1cccs1)N1CCc2ccccc21
InChIInChI=1S/C21H17N3O2S2/c25-28(26,24-13-12-16-7-4-5-10-18(16)24)20-15-23(17-8-2-1-3-9-17)22-21(20)19-11-6-14-27-19/h1-11,14-15H,12-13H2
InChIKeyHVPKNEXAZUHBSX-UHFFFAOYSA-N
XLogP4.35
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperidine
CID 42351856
8-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 42351890
N-(4-hydroxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285475
(E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1-(6-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)prop-2-en-1-one
CID 75535836
N-ethyl-N-(2-hydroxyethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42351821
N-(2,4-difluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42352230
N-benzyl-1-phenyl-N-(2-phenylethyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42351837
N-(2,5-difluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42352236
azetidin-1-yl-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
CID 7677674
1,3-diphenyl-4-pyrrolidin-1-ylsulfonylpyrazole
CID 42348986
(4-methyl-1,4-diazepan-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
CID 78769505
N-(6-methyl-1,3-benzothiazol-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285510

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonyl-2,3-dihydroindole?
The IUPAC name of 1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonyl-2,3-dihydroindole (CID 42352164) is 1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonyl-2,3-dihydroindole.
What is the SMILES notation for 1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonyl-2,3-dihydroindole?
The canonical SMILES for 1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonyl-2,3-dihydroindole is O=S(=O)(c1cn(-c2ccccc2)nc1-c1cccs1)N1CCc2ccccc21.
What is the InChIKey of 1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonyl-2,3-dihydroindole?
The InChIKey is HVPKNEXAZUHBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2S2/c25-28(26,24-13-12-16-7-4-5-10-18(16)24)20-15-23(17-8-2-1-3-9-17)22-21(20)19-11-6-14-27-19/h1-11,14-15H,12-13H2.
What are the key properties of 1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonyl-2,3-dihydroindole?
1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonyl-2,3-dihydroindole has a molecular weight of 407.52 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 42352164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).