3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide

C24H22N6O3S — CID 55614093

IUPAC3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide
SMILESCc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)cc1-n1cnnn1
InChIInChI=1S/C24H22N6O3S/c1-17-11-12-20(15-23(17)29-16-25-27-28-29)26-24(31)19-7-4-9-21(14-19)34(32,33)30-13-5-8-18-6-2-3-10-22(18)30/h2-4,6-7,9-12,14-16H,5,8,13H2,1H3,(H,26,31)
InChIKeyHZFTYDIPJQWAKZ-UHFFFAOYSA-N
MW474.55 g/mol
LogP3.36
Rot. Bonds5

About 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide

3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide (PubChem CID 55614093) has the molecular formula C24H22N6O3S and a molecular weight of 474.55 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide
PubChem CID55614093
Molecular FormulaC24H22N6O3S
Molecular Weight474.55 g/mol
Exact Mass474.15
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide
SMILESCc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)cc1-n1cnnn1
InChIInChI=1S/C24H22N6O3S/c1-17-11-12-20(15-23(17)29-16-25-27-28-29)26-24(31)19-7-4-9-21(14-19)34(32,33)30-13-5-8-18-6-2-3-10-22(18)30/h2-4,6-7,9-12,14-16H,5,8,13H2,1H3,(H,26,31)
InChIKeyHZFTYDIPJQWAKZ-UHFFFAOYSA-N
XLogP3.36
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.55
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide
CID 55711809
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(4-methyl-2-pyridinyl)benzamide
CID 24980754
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-pyridin-2-ylbenzamide
CID 25102342
3-(2,3-dihydroindol-1-ylsulfonyl)-N-phenylbenzamide
CID 2704832
N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-iodobenzamide
CID 17320464
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 112805723
N-(3-chlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 7900124
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,3-dimethylphenyl)benzamide
CID 7947076
[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 112766393
3-[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]-N,4-dimethylbenzamide
CID 39132073
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4983147
3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-3-ylbenzamide
CID 2477308

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide (CID 55614093) is 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide is Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)cc1-n1cnnn1.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide?
The InChIKey is HZFTYDIPJQWAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O3S/c1-17-11-12-20(15-23(17)29-16-25-27-28-29)26-24(31)19-7-4-9-21(14-19)34(32,33)30-13-5-8-18-6-2-3-10-22(18)30/h2-4,6-7,9-12,14-16H,5,8,13H2,1H3,(H,26,31).
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide?
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide has a molecular weight of 474.55 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 55614093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).