3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-1-(3-chlorophenyl)sulfonyl-5-methoxyindole

C20H18Cl2N2O3S — CID 56669949

IUPAC3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-1-(3-chlorophenyl)sulfonyl-5-methoxyindole
SMILESCOc1ccc2c(c1)c(C1=C(Cl)CN(C)C1)cn2S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C20H18Cl2N2O3S/c1-23-10-18(19(22)12-23)17-11-24(20-7-6-14(27-2)9-16(17)20)28(25,26)15-5-3-4-13(21)8-15/h3-9,11H,10,12H2,1-2H3
InChIKeyNMJMCDTYCASJJV-UHFFFAOYSA-N
MW437.35 g/mol
LogP4.44
Rot. Bonds4

About 3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-1-(3-chlorophenyl)sulfonyl-5-methoxyindole

3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-1-(3-chlorophenyl)sulfonyl-5-methoxyindole (PubChem CID 56669949) has the molecular formula C20H18Cl2N2O3S and a molecular weight of 437.35 g/mol. Its IUPAC name is 3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-1-(3-chlorophenyl)sulfonyl-5-methoxyindole.

Molecular Properties

Compound Name3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-1-(3-chlorophenyl)sulfonyl-5-methoxyindole
PubChem CID56669949
Molecular FormulaC20H18Cl2N2O3S
Molecular Weight437.35 g/mol
Exact Mass436.04
IUPAC Name3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-1-(3-chlorophenyl)sulfonyl-5-methoxyindole
SMILESCOc1ccc2c(c1)c(C1=C(Cl)CN(C)C1)cn2S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C20H18Cl2N2O3S/c1-23-10-18(19(22)12-23)17-11-24(20-7-6-14(27-2)9-16(17)20)28(25,26)15-5-3-4-13(21)8-15/h3-9,11H,10,12H2,1-2H3
InChIKeyNMJMCDTYCASJJV-UHFFFAOYSA-N
XLogP4.44
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.35
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-1-(3-chlorophenyl)sulfonyl-5-methoxyindole?
The IUPAC name of 3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-1-(3-chlorophenyl)sulfonyl-5-methoxyindole (CID 56669949) is 3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-1-(3-chlorophenyl)sulfonyl-5-methoxyindole.
What is the SMILES notation for 3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-1-(3-chlorophenyl)sulfonyl-5-methoxyindole?
The canonical SMILES for 3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-1-(3-chlorophenyl)sulfonyl-5-methoxyindole is COc1ccc2c(c1)c(C1=C(Cl)CN(C)C1)cn2S(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-1-(3-chlorophenyl)sulfonyl-5-methoxyindole?
The InChIKey is NMJMCDTYCASJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O3S/c1-23-10-18(19(22)12-23)17-11-24(20-7-6-14(27-2)9-16(17)20)28(25,26)15-5-3-4-13(21)8-15/h3-9,11H,10,12H2,1-2H3.
What are the key properties of 3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-1-(3-chlorophenyl)sulfonyl-5-methoxyindole?
3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-1-(3-chlorophenyl)sulfonyl-5-methoxyindole has a molecular weight of 437.35 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-1-(3-chlorophenyl)sulfonyl-5-methoxyindole is sourced from PubChem (CID 56669949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).