6-chloro-1-(3-cyclopropyl-1-propylpyrazol-4-yl)sulfonyl-2,3-dihydroindole

C17H20ClN3O2S — CID 166343270

IUPAC6-chloro-1-(3-cyclopropyl-1-propylpyrazol-4-yl)sulfonyl-2,3-dihydroindole
SMILESCCCn1cc(S(=O)(=O)N2CCc3ccc(Cl)cc32)c(C2CC2)n1
InChIInChI=1S/C17H20ClN3O2S/c1-2-8-20-11-16(17(19-20)13-3-4-13)24(22,23)21-9-7-12-5-6-14(18)10-15(12)21/h5-6,10-11,13H,2-4,7-9H2,1H3
InChIKeyYMUCWRSGPCKFFP-UHFFFAOYSA-N
MW365.89 g/mol
LogP3.58
Rot. Bonds5

About 6-chloro-1-(3-cyclopropyl-1-propylpyrazol-4-yl)sulfonyl-2,3-dihydroindole

6-chloro-1-(3-cyclopropyl-1-propylpyrazol-4-yl)sulfonyl-2,3-dihydroindole (PubChem CID 166343270) has the molecular formula C17H20ClN3O2S and a molecular weight of 365.89 g/mol. Its IUPAC name is 6-chloro-1-(3-cyclopropyl-1-propylpyrazol-4-yl)sulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name6-chloro-1-(3-cyclopropyl-1-propylpyrazol-4-yl)sulfonyl-2,3-dihydroindole
PubChem CID166343270
Molecular FormulaC17H20ClN3O2S
Molecular Weight365.89 g/mol
Exact Mass365.10
IUPAC Name6-chloro-1-(3-cyclopropyl-1-propylpyrazol-4-yl)sulfonyl-2,3-dihydroindole
SMILESCCCn1cc(S(=O)(=O)N2CCc3ccc(Cl)cc32)c(C2CC2)n1
InChIInChI=1S/C17H20ClN3O2S/c1-2-8-20-11-16(17(19-20)13-3-4-13)24(22,23)21-9-7-12-5-6-14(18)10-15(12)21/h5-6,10-11,13H,2-4,7-9H2,1H3
InChIKeyYMUCWRSGPCKFFP-UHFFFAOYSA-N
XLogP3.58
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.89
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(3-cyclopropyl-1-propylpyrazol-4-yl)sulfonyl-2,3-dihydroindole?
The IUPAC name of 6-chloro-1-(3-cyclopropyl-1-propylpyrazol-4-yl)sulfonyl-2,3-dihydroindole (CID 166343270) is 6-chloro-1-(3-cyclopropyl-1-propylpyrazol-4-yl)sulfonyl-2,3-dihydroindole.
What is the SMILES notation for 6-chloro-1-(3-cyclopropyl-1-propylpyrazol-4-yl)sulfonyl-2,3-dihydroindole?
The canonical SMILES for 6-chloro-1-(3-cyclopropyl-1-propylpyrazol-4-yl)sulfonyl-2,3-dihydroindole is CCCn1cc(S(=O)(=O)N2CCc3ccc(Cl)cc32)c(C2CC2)n1.
What is the InChIKey of 6-chloro-1-(3-cyclopropyl-1-propylpyrazol-4-yl)sulfonyl-2,3-dihydroindole?
The InChIKey is YMUCWRSGPCKFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2S/c1-2-8-20-11-16(17(19-20)13-3-4-13)24(22,23)21-9-7-12-5-6-14(18)10-15(12)21/h5-6,10-11,13H,2-4,7-9H2,1H3.
What are the key properties of 6-chloro-1-(3-cyclopropyl-1-propylpyrazol-4-yl)sulfonyl-2,3-dihydroindole?
6-chloro-1-(3-cyclopropyl-1-propylpyrazol-4-yl)sulfonyl-2,3-dihydroindole has a molecular weight of 365.89 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(3-cyclopropyl-1-propylpyrazol-4-yl)sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 166343270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).