1-(benzenesulfonyl)-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)indole

C19H17ClN2O2S — CID 11187925

IUPAC1-(benzenesulfonyl)-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)indole
SMILESCN1CC(Cl)=C(c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)C1
InChIInChI=1S/C19H17ClN2O2S/c1-21-11-17(18(20)13-21)16-12-22(19-10-6-5-9-15(16)19)25(23,24)14-7-3-2-4-8-14/h2-10,12H,11,13H2,1H3
InChIKeyPQQHOBXFKJXQAU-UHFFFAOYSA-N
MW372.88 g/mol
LogP3.77
Rot. Bonds3

About 1-(benzenesulfonyl)-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)indole

1-(benzenesulfonyl)-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)indole (PubChem CID 11187925) has the molecular formula C19H17ClN2O2S and a molecular weight of 372.88 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)indole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)indole
PubChem CID11187925
Molecular FormulaC19H17ClN2O2S
Molecular Weight372.88 g/mol
Exact Mass372.07
IUPAC Name1-(benzenesulfonyl)-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)indole
SMILESCN1CC(Cl)=C(c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)C1
InChIInChI=1S/C19H17ClN2O2S/c1-21-11-17(18(20)13-21)16-12-22(19-10-6-5-9-15(16)19)25(23,24)14-7-3-2-4-8-14/h2-10,12H,11,13H2,1H3
InChIKeyPQQHOBXFKJXQAU-UHFFFAOYSA-N
XLogP3.77
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)indole?
The IUPAC name of 1-(benzenesulfonyl)-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)indole (CID 11187925) is 1-(benzenesulfonyl)-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)indole.
What is the SMILES notation for 1-(benzenesulfonyl)-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)indole?
The canonical SMILES for 1-(benzenesulfonyl)-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)indole is CN1CC(Cl)=C(c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)C1.
What is the InChIKey of 1-(benzenesulfonyl)-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)indole?
The InChIKey is PQQHOBXFKJXQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2S/c1-21-11-17(18(20)13-21)16-12-22(19-10-6-5-9-15(16)19)25(23,24)14-7-3-2-4-8-14/h2-10,12H,11,13H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)indole?
1-(benzenesulfonyl)-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)indole has a molecular weight of 372.88 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)indole is sourced from PubChem (CID 11187925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).