4-[3-[1-(benzenesulfonyl)-4-chloropyrrolo[3,2-c]pyridin-2-yl]propyl]morpholine

C20H22ClN3O3S — CID 118140186

IUPAC4-[3-[1-(benzenesulfonyl)-4-chloropyrrolo[3,2-c]pyridin-2-yl]propyl]morpholine
SMILESO=S(=O)(c1ccccc1)n1c(CCCN2CCOCC2)cc2c(Cl)nccc21
InChIInChI=1S/C20H22ClN3O3S/c21-20-18-15-16(5-4-10-23-11-13-27-14-12-23)24(19(18)8-9-22-20)28(25,26)17-6-2-1-3-7-17/h1-3,6-9,15H,4-5,10-14H2
InChIKeyIJTVEUXMLXQLAA-UHFFFAOYSA-N
MW419.93 g/mol
LogP3.19
Rot. Bonds6

About 4-[3-[1-(benzenesulfonyl)-4-chloropyrrolo[3,2-c]pyridin-2-yl]propyl]morpholine

4-[3-[1-(benzenesulfonyl)-4-chloropyrrolo[3,2-c]pyridin-2-yl]propyl]morpholine (PubChem CID 118140186) has the molecular formula C20H22ClN3O3S and a molecular weight of 419.93 g/mol. Its IUPAC name is 4-[3-[1-(benzenesulfonyl)-4-chloropyrrolo[3,2-c]pyridin-2-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[1-(benzenesulfonyl)-4-chloropyrrolo[3,2-c]pyridin-2-yl]propyl]morpholine
PubChem CID118140186
Molecular FormulaC20H22ClN3O3S
Molecular Weight419.93 g/mol
Exact Mass419.11
IUPAC Name4-[3-[1-(benzenesulfonyl)-4-chloropyrrolo[3,2-c]pyridin-2-yl]propyl]morpholine
SMILESO=S(=O)(c1ccccc1)n1c(CCCN2CCOCC2)cc2c(Cl)nccc21
InChIInChI=1S/C20H22ClN3O3S/c21-20-18-15-16(5-4-10-23-11-13-27-14-12-23)24(19(18)8-9-22-20)28(25,26)17-6-2-1-3-7-17/h1-3,6-9,15H,4-5,10-14H2
InChIKeyIJTVEUXMLXQLAA-UHFFFAOYSA-N
XLogP3.19
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.93
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[3-(benzenesulfonyl)propyl]morpholine;hydrochloride
CID 3029441
2-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-2-yl]ethanol
CID 138491902
2-chloro-N-(3-morpholin-4-ylpropyl)pyridine-3-sulfonamide
CID 43415001
4-[2-[4-[5-(benzenesulfonyl)-2-chlorophenyl]sulfonylpiperazin-1-yl]ethyl]morpholine
CID 57430502
4-(3-pyrimidin-2-ylpropyl)morpholine
CID 170871392
4-[3-(4,6-dichloropyrimidin-5-yl)propyl]morpholine
CID 170871352
4-(3-pyrimidin-4-ylpropyl)morpholine
CID 170871346
4-[6-[9-(benzenesulfonyl)-3-chloropyrido[2,3-b]indol-6-yl]-3-pyridinyl]morpholine
CID 46186690
4-[3-(3-pyridin-2-ylphenyl)propyl]morpholine
CID 170869904
4-[3-(3,5-dimethyl-4-phenylmethoxyphenyl)propyl]morpholine
CID 170869436
4-[3-[3-(3-morpholin-4-ylpropyl)naphthalen-2-yl]propyl]morpholine
CID 170869299
4-[[1-(4-chlorophenyl)sulfonylbenzimidazol-2-yl]methyl]morpholine
CID 43813836

Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-(benzenesulfonyl)-4-chloropyrrolo[3,2-c]pyridin-2-yl]propyl]morpholine?
The IUPAC name of 4-[3-[1-(benzenesulfonyl)-4-chloropyrrolo[3,2-c]pyridin-2-yl]propyl]morpholine (CID 118140186) is 4-[3-[1-(benzenesulfonyl)-4-chloropyrrolo[3,2-c]pyridin-2-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[1-(benzenesulfonyl)-4-chloropyrrolo[3,2-c]pyridin-2-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[1-(benzenesulfonyl)-4-chloropyrrolo[3,2-c]pyridin-2-yl]propyl]morpholine is O=S(=O)(c1ccccc1)n1c(CCCN2CCOCC2)cc2c(Cl)nccc21.
What is the InChIKey of 4-[3-[1-(benzenesulfonyl)-4-chloropyrrolo[3,2-c]pyridin-2-yl]propyl]morpholine?
The InChIKey is IJTVEUXMLXQLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3S/c21-20-18-15-16(5-4-10-23-11-13-27-14-12-23)24(19(18)8-9-22-20)28(25,26)17-6-2-1-3-7-17/h1-3,6-9,15H,4-5,10-14H2.
What are the key properties of 4-[3-[1-(benzenesulfonyl)-4-chloropyrrolo[3,2-c]pyridin-2-yl]propyl]morpholine?
4-[3-[1-(benzenesulfonyl)-4-chloropyrrolo[3,2-c]pyridin-2-yl]propyl]morpholine has a molecular weight of 419.93 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-(benzenesulfonyl)-4-chloropyrrolo[3,2-c]pyridin-2-yl]propyl]morpholine is sourced from PubChem (CID 118140186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).