4-[2-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]ethyl]benzenesulfonamide

C18H22N4O4S — CID 109184599

IUPAC4-[2-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNc2ccc(C(=O)N3CCOCC3)nc2)cc1
InChIInChI=1S/C18H22N4O4S/c19-27(24,25)16-4-1-14(2-5-16)7-8-20-15-3-6-17(21-13-15)18(23)22-9-11-26-12-10-22/h1-6,13,20H,7-12H2,(H2,19,24,25)
InChIKeyNKQJSONYUWLDMW-UHFFFAOYSA-N
MW390.47 g/mol
LogP0.86
Rot. Bonds6

About 4-[2-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]ethyl]benzenesulfonamide

4-[2-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]ethyl]benzenesulfonamide (PubChem CID 109184599) has the molecular formula C18H22N4O4S and a molecular weight of 390.47 g/mol. Its IUPAC name is 4-[2-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]ethyl]benzenesulfonamide
PubChem CID109184599
Molecular FormulaC18H22N4O4S
Molecular Weight390.47 g/mol
Exact Mass390.14
IUPAC Name4-[2-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNc2ccc(C(=O)N3CCOCC3)nc2)cc1
InChIInChI=1S/C18H22N4O4S/c19-27(24,25)16-4-1-14(2-5-16)7-8-20-15-3-6-17(21-13-15)18(23)22-9-11-26-12-10-22/h1-6,13,20H,7-12H2,(H2,19,24,25)
InChIKeyNKQJSONYUWLDMW-UHFFFAOYSA-N
XLogP0.86
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

morpholin-4-yl-[5-(2-phenylethylamino)-2-pyridinyl]methanone
CID 109184585
[5-[2-(3-chlorophenyl)ethylamino]-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184630
N-phenyl-5-[2-(4-sulfamoylphenyl)ethylamino]pyridine-2-carboxamide
CID 109193610
[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181785
[5-(aminomethyl)-2-pyridinyl]-morpholin-4-ylmethanone
CID 63723014
4-[2-[[4-(pyrrolidine-1-carbonyl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide
CID 109297701
[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182540
4-[2-[[5-(piperidine-1-carbonyl)-3-pyridinyl]amino]ethyl]benzenesulfonamide
CID 109226302
1-(morpholine-4-carbonyl)-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 108973072
5-(butylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-2-carboxamide
CID 109180864
[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109192409
5-[2-(4-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 109185666

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]ethyl]benzenesulfonamide (CID 109184599) is 4-[2-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCNc2ccc(C(=O)N3CCOCC3)nc2)cc1.
What is the InChIKey of 4-[2-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]ethyl]benzenesulfonamide?
The InChIKey is NKQJSONYUWLDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S/c19-27(24,25)16-4-1-14(2-5-16)7-8-20-15-3-6-17(21-13-15)18(23)22-9-11-26-12-10-22/h1-6,13,20H,7-12H2,(H2,19,24,25).
What are the key properties of 4-[2-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]ethyl]benzenesulfonamide?
4-[2-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]ethyl]benzenesulfonamide has a molecular weight of 390.47 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 109184599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).