3-[(3-imidazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzamide

C19H18N4O3S — CID 167840669

IUPAC3-[(3-imidazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzamide
SMILESNC(=O)c1cccc(S(=O)(=O)N2CC(n3ccnc3)Cc3ccccc32)c1
InChIInChI=1S/C19H18N4O3S/c20-19(24)15-5-3-6-17(11-15)27(25,26)23-12-16(22-9-8-21-13-22)10-14-4-1-2-7-18(14)23/h1-9,11,13,16H,10,12H2,(H2,20,24)
InChIKeyMEJJSGFOFUYAAW-UHFFFAOYSA-N
MW382.45 g/mol
LogP1.97
Rot. Bonds4

About 3-[(3-imidazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzamide

3-[(3-imidazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzamide (PubChem CID 167840669) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is 3-[(3-imidazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzamide.

Molecular Properties

Compound Name3-[(3-imidazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzamide
PubChem CID167840669
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC Name3-[(3-imidazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzamide
SMILESNC(=O)c1cccc(S(=O)(=O)N2CC(n3ccnc3)Cc3ccccc32)c1
InChIInChI=1S/C19H18N4O3S/c20-19(24)15-5-3-6-17(11-15)27(25,26)23-12-16(22-9-8-21-13-22)10-14-4-1-2-7-18(14)23/h1-9,11,13,16H,10,12H2,(H2,20,24)
InChIKeyMEJJSGFOFUYAAW-UHFFFAOYSA-N
XLogP1.97
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-fluoro-5-methylphenyl)sulfonyl-3-imidazol-1-yl-3,4-dihydro-2H-quinoline
CID 126792397
(3R)-1-(4-ethylphenyl)sulfonyl-3-imidazol-1-yl-3,4-dihydro-2H-quinoline
CID 97318248
3-[(3S)-3-imidazol-1-ylpiperidine-1-carbonyl]benzamide
CID 95569094
1-(benzenesulfonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 126480885
3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 7062520
3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-3-ylbenzamide
CID 2477308
bis(3-imidazol-1-ylsulfonylphenyl)methanone
CID 11812262
1-(3-carbamoylphenyl)sulfonyl-N-(4-fluorophenyl)-3,4-dihydro-2H-quinoline-2-carboxamide
CID 167828439
3-[(3R)-3-aminopyrrolidin-1-yl]sulfonylbenzamide
CID 119962387
3-[(3S)-3-aminopyrrolidin-1-yl]sulfonylbenzamide
CID 75431046
N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide
CID 41071883
3-(2,3-dihydroindol-1-ylsulfonyl)-N-phenylbenzamide
CID 2704832

Frequently Asked Questions

What is the IUPAC name of 3-[(3-imidazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzamide?
The IUPAC name of 3-[(3-imidazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzamide (CID 167840669) is 3-[(3-imidazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzamide.
What is the SMILES notation for 3-[(3-imidazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzamide?
The canonical SMILES for 3-[(3-imidazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzamide is NC(=O)c1cccc(S(=O)(=O)N2CC(n3ccnc3)Cc3ccccc32)c1.
What is the InChIKey of 3-[(3-imidazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzamide?
The InChIKey is MEJJSGFOFUYAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c20-19(24)15-5-3-6-17(11-15)27(25,26)23-12-16(22-9-8-21-13-22)10-14-4-1-2-7-18(14)23/h1-9,11,13,16H,10,12H2,(H2,20,24).
What are the key properties of 3-[(3-imidazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzamide?
3-[(3-imidazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzamide has a molecular weight of 382.45 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-imidazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzamide is sourced from PubChem (CID 167840669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).