1-(2-chlorophenyl)sulfonyl-3-(cyclopentylmethyl)-2,3-dihydropyrrolo[3,2-b]pyridine

C19H21ClN2O2S — CID 59161680

IUPAC1-(2-chlorophenyl)sulfonyl-3-(cyclopentylmethyl)-2,3-dihydropyrrolo[3,2-b]pyridine
SMILESO=S(=O)(c1ccccc1Cl)N1CC(CC2CCCC2)c2ncccc21
InChIInChI=1S/C19H21ClN2O2S/c20-16-8-3-4-10-18(16)25(23,24)22-13-15(12-14-6-1-2-7-14)19-17(22)9-5-11-21-19/h3-5,8-11,14-15H,1-2,6-7,12-13H2
InChIKeyLYWGMBMIGBNZBO-UHFFFAOYSA-N
MW376.91 g/mol
LogP4.61
Rot. Bonds4

About 1-(2-chlorophenyl)sulfonyl-3-(cyclopentylmethyl)-2,3-dihydropyrrolo[3,2-b]pyridine

1-(2-chlorophenyl)sulfonyl-3-(cyclopentylmethyl)-2,3-dihydropyrrolo[3,2-b]pyridine (PubChem CID 59161680) has the molecular formula C19H21ClN2O2S and a molecular weight of 376.91 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfonyl-3-(cyclopentylmethyl)-2,3-dihydropyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfonyl-3-(cyclopentylmethyl)-2,3-dihydropyrrolo[3,2-b]pyridine
PubChem CID59161680
Molecular FormulaC19H21ClN2O2S
Molecular Weight376.91 g/mol
Exact Mass376.10
IUPAC Name1-(2-chlorophenyl)sulfonyl-3-(cyclopentylmethyl)-2,3-dihydropyrrolo[3,2-b]pyridine
SMILESO=S(=O)(c1ccccc1Cl)N1CC(CC2CCCC2)c2ncccc21
InChIInChI=1S/C19H21ClN2O2S/c20-16-8-3-4-10-18(16)25(23,24)22-13-15(12-14-6-1-2-7-14)19-17(22)9-5-11-21-19/h3-5,8-11,14-15H,1-2,6-7,12-13H2
InChIKeyLYWGMBMIGBNZBO-UHFFFAOYSA-N
XLogP4.61
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.91
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfonyl-3-(cyclopentylmethyl)-2,3-dihydropyrrolo[3,2-b]pyridine?
The IUPAC name of 1-(2-chlorophenyl)sulfonyl-3-(cyclopentylmethyl)-2,3-dihydropyrrolo[3,2-b]pyridine (CID 59161680) is 1-(2-chlorophenyl)sulfonyl-3-(cyclopentylmethyl)-2,3-dihydropyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-(2-chlorophenyl)sulfonyl-3-(cyclopentylmethyl)-2,3-dihydropyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-(2-chlorophenyl)sulfonyl-3-(cyclopentylmethyl)-2,3-dihydropyrrolo[3,2-b]pyridine is O=S(=O)(c1ccccc1Cl)N1CC(CC2CCCC2)c2ncccc21.
What is the InChIKey of 1-(2-chlorophenyl)sulfonyl-3-(cyclopentylmethyl)-2,3-dihydropyrrolo[3,2-b]pyridine?
The InChIKey is LYWGMBMIGBNZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2S/c20-16-8-3-4-10-18(16)25(23,24)22-13-15(12-14-6-1-2-7-14)19-17(22)9-5-11-21-19/h3-5,8-11,14-15H,1-2,6-7,12-13H2.
What are the key properties of 1-(2-chlorophenyl)sulfonyl-3-(cyclopentylmethyl)-2,3-dihydropyrrolo[3,2-b]pyridine?
1-(2-chlorophenyl)sulfonyl-3-(cyclopentylmethyl)-2,3-dihydropyrrolo[3,2-b]pyridine has a molecular weight of 376.91 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfonyl-3-(cyclopentylmethyl)-2,3-dihydropyrrolo[3,2-b]pyridine is sourced from PubChem (CID 59161680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).