1-(3-chloro-4-methylphenyl)sulfonyl-5-methoxy-3-propyl-2,3-dihydroindole

C19H22ClNO3S — CID 71036700

IUPAC1-(3-chloro-4-methylphenyl)sulfonyl-5-methoxy-3-propyl-2,3-dihydroindole
SMILESCCCC1CN(S(=O)(=O)c2ccc(C)c(Cl)c2)c2ccc(OC)cc21
InChIInChI=1S/C19H22ClNO3S/c1-4-5-14-12-21(19-9-7-15(24-3)10-17(14)19)25(22,23)16-8-6-13(2)18(20)11-16/h6-11,14H,4-5,12H2,1-3H3
InChIKeyKGUADFUTNGBCBO-UHFFFAOYSA-N
MW379.91 g/mol
LogP4.75
Rot. Bonds5

About 1-(3-chloro-4-methylphenyl)sulfonyl-5-methoxy-3-propyl-2,3-dihydroindole

1-(3-chloro-4-methylphenyl)sulfonyl-5-methoxy-3-propyl-2,3-dihydroindole (PubChem CID 71036700) has the molecular formula C19H22ClNO3S and a molecular weight of 379.91 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)sulfonyl-5-methoxy-3-propyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)sulfonyl-5-methoxy-3-propyl-2,3-dihydroindole
PubChem CID71036700
Molecular FormulaC19H22ClNO3S
Molecular Weight379.91 g/mol
Exact Mass379.10
IUPAC Name1-(3-chloro-4-methylphenyl)sulfonyl-5-methoxy-3-propyl-2,3-dihydroindole
SMILESCCCC1CN(S(=O)(=O)c2ccc(C)c(Cl)c2)c2ccc(OC)cc21
InChIInChI=1S/C19H22ClNO3S/c1-4-5-14-12-21(19-9-7-15(24-3)10-17(14)19)25(22,23)16-8-6-13(2)18(20)11-16/h6-11,14H,4-5,12H2,1-3H3
InChIKeyKGUADFUTNGBCBO-UHFFFAOYSA-N
XLogP4.75
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)sulfonyl-5-methoxy-3-propyl-2,3-dihydroindole?
The IUPAC name of 1-(3-chloro-4-methylphenyl)sulfonyl-5-methoxy-3-propyl-2,3-dihydroindole (CID 71036700) is 1-(3-chloro-4-methylphenyl)sulfonyl-5-methoxy-3-propyl-2,3-dihydroindole.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)sulfonyl-5-methoxy-3-propyl-2,3-dihydroindole?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)sulfonyl-5-methoxy-3-propyl-2,3-dihydroindole is CCCC1CN(S(=O)(=O)c2ccc(C)c(Cl)c2)c2ccc(OC)cc21.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)sulfonyl-5-methoxy-3-propyl-2,3-dihydroindole?
The InChIKey is KGUADFUTNGBCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3S/c1-4-5-14-12-21(19-9-7-15(24-3)10-17(14)19)25(22,23)16-8-6-13(2)18(20)11-16/h6-11,14H,4-5,12H2,1-3H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)sulfonyl-5-methoxy-3-propyl-2,3-dihydroindole?
1-(3-chloro-4-methylphenyl)sulfonyl-5-methoxy-3-propyl-2,3-dihydroindole has a molecular weight of 379.91 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)sulfonyl-5-methoxy-3-propyl-2,3-dihydroindole is sourced from PubChem (CID 71036700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).