3-[1-(3,4-dichlorophenyl)sulfonylpyrrolidin-3-yl]-1H-indole

C18H16Cl2N2O2S — CID 113087788

IUPAC3-[1-(3,4-dichlorophenyl)sulfonylpyrrolidin-3-yl]-1H-indole
SMILESO=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCC(c2c[nH]c3ccccc23)C1
InChIInChI=1S/C18H16Cl2N2O2S/c19-16-6-5-13(9-17(16)20)25(23,24)22-8-7-12(11-22)15-10-21-18-4-2-1-3-14(15)18/h1-6,9-10,12,21H,7-8,11H2
InChIKeyKTRKSFMMHFFBIY-UHFFFAOYSA-N
MW395.31 g/mol
LogP4.65
Rot. Bonds3

About 3-[1-(3,4-dichlorophenyl)sulfonylpyrrolidin-3-yl]-1H-indole

3-[1-(3,4-dichlorophenyl)sulfonylpyrrolidin-3-yl]-1H-indole (PubChem CID 113087788) has the molecular formula C18H16Cl2N2O2S and a molecular weight of 395.31 g/mol. Its IUPAC name is 3-[1-(3,4-dichlorophenyl)sulfonylpyrrolidin-3-yl]-1H-indole.

Molecular Properties

Compound Name3-[1-(3,4-dichlorophenyl)sulfonylpyrrolidin-3-yl]-1H-indole
PubChem CID113087788
Molecular FormulaC18H16Cl2N2O2S
Molecular Weight395.31 g/mol
Exact Mass394.03
IUPAC Name3-[1-(3,4-dichlorophenyl)sulfonylpyrrolidin-3-yl]-1H-indole
SMILESO=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCC(c2c[nH]c3ccccc23)C1
InChIInChI=1S/C18H16Cl2N2O2S/c19-16-6-5-13(9-17(16)20)25(23,24)22-8-7-12(11-22)15-10-21-18-4-2-1-3-14(15)18/h1-6,9-10,12,21H,7-8,11H2
InChIKeyKTRKSFMMHFFBIY-UHFFFAOYSA-N
XLogP4.65
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.31
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(benzenesulfonyl)pyrrolidin-3-yl]-1H-indole
CID 110711055
amino-[3-[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indol-7-yl]methanol
CID 143079410
(3,4-dichlorophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 84558891
3-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-5-fluoro-1H-indole
CID 113087436
3-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-1H-indole
CID 113086589
3-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1H-indole
CID 84563257
3-(1-methylpyrrolidin-3-yl)-1H-indole
CID 19337
4-bromo-1-(3,4-dichlorophenyl)sulfonylpiperidine
CID 80672110
3-[1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-1H-indole
CID 113087165
3-chloro-1-(3,4-dichlorophenyl)sulfonylpiperidine
CID 63397150
4-[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]morpholine
CID 68554209
3-(3,4-dichlorophenyl)-1-[4-[4-(1H-indol-3-yl)piperidin-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 70166096

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,4-dichlorophenyl)sulfonylpyrrolidin-3-yl]-1H-indole?
The IUPAC name of 3-[1-(3,4-dichlorophenyl)sulfonylpyrrolidin-3-yl]-1H-indole (CID 113087788) is 3-[1-(3,4-dichlorophenyl)sulfonylpyrrolidin-3-yl]-1H-indole.
What is the SMILES notation for 3-[1-(3,4-dichlorophenyl)sulfonylpyrrolidin-3-yl]-1H-indole?
The canonical SMILES for 3-[1-(3,4-dichlorophenyl)sulfonylpyrrolidin-3-yl]-1H-indole is O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCC(c2c[nH]c3ccccc23)C1.
What is the InChIKey of 3-[1-(3,4-dichlorophenyl)sulfonylpyrrolidin-3-yl]-1H-indole?
The InChIKey is KTRKSFMMHFFBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O2S/c19-16-6-5-13(9-17(16)20)25(23,24)22-8-7-12(11-22)15-10-21-18-4-2-1-3-14(15)18/h1-6,9-10,12,21H,7-8,11H2.
What are the key properties of 3-[1-(3,4-dichlorophenyl)sulfonylpyrrolidin-3-yl]-1H-indole?
3-[1-(3,4-dichlorophenyl)sulfonylpyrrolidin-3-yl]-1H-indole has a molecular weight of 395.31 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,4-dichlorophenyl)sulfonylpyrrolidin-3-yl]-1H-indole is sourced from PubChem (CID 113087788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).