4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-pyrrolidin-1-ylphenyl)benzamide

C26H27N3O3S — CID 16557757

IUPAC4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-pyrrolidin-1-ylphenyl)benzamide
SMILESO=C(Nc1ccccc1N1CCCC1)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C26H27N3O3S/c30-26(27-23-10-2-4-12-25(23)28-17-5-6-18-28)21-13-15-22(16-14-21)33(31,32)29-19-7-9-20-8-1-3-11-24(20)29/h1-4,8,10-16H,5-7,9,17-19H2,(H,27,30)
InChIKeyVVFLUHVYKRQYJD-UHFFFAOYSA-N
MW461.59 g/mol
LogP4.68
Rot. Bonds5

About 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-pyrrolidin-1-ylphenyl)benzamide

4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-pyrrolidin-1-ylphenyl)benzamide (PubChem CID 16557757) has the molecular formula C26H27N3O3S and a molecular weight of 461.59 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-pyrrolidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-pyrrolidin-1-ylphenyl)benzamide
PubChem CID16557757
Molecular FormulaC26H27N3O3S
Molecular Weight461.59 g/mol
Exact Mass461.18
IUPAC Name4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-pyrrolidin-1-ylphenyl)benzamide
SMILESO=C(Nc1ccccc1N1CCCC1)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C26H27N3O3S/c30-26(27-23-10-2-4-12-25(23)28-17-5-6-18-28)21-13-15-22(16-14-21)33(31,32)29-19-7-9-20-8-1-3-11-24(20)29/h1-4,8,10-16H,5-7,9,17-19H2,(H,27,30)
InChIKeyVVFLUHVYKRQYJD-UHFFFAOYSA-N
XLogP4.68
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.59
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(azepan-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 22831307
N-(2-piperidin-1-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 7550938
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 30267246
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4541428
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-pyridazin-3-ylbenzamide
CID 175506682
N-[2-(4-methylpiperazin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 16557461
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 16548505
N-[2-(azepan-1-yl)phenyl]-4-(methylsulfamoyl)benzamide
CID 38282895
N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-iodobenzamide
CID 17320464
N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]pyrrolidine-1-carboxamide
CID 22583370
4-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid
CID 856543
N-[2-(azepan-1-yl)phenyl]benzamide
CID 24652732

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-pyrrolidin-1-ylphenyl)benzamide?
The IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-pyrrolidin-1-ylphenyl)benzamide (CID 16557757) is 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-pyrrolidin-1-ylphenyl)benzamide.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-pyrrolidin-1-ylphenyl)benzamide?
The canonical SMILES for 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-pyrrolidin-1-ylphenyl)benzamide is O=C(Nc1ccccc1N1CCCC1)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1.
What is the InChIKey of 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-pyrrolidin-1-ylphenyl)benzamide?
The InChIKey is VVFLUHVYKRQYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3S/c30-26(27-23-10-2-4-12-25(23)28-17-5-6-18-28)21-13-15-22(16-14-21)33(31,32)29-19-7-9-20-8-1-3-11-24(20)29/h1-4,8,10-16H,5-7,9,17-19H2,(H,27,30).
What are the key properties of 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-pyrrolidin-1-ylphenyl)benzamide?
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-pyrrolidin-1-ylphenyl)benzamide has a molecular weight of 461.59 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-pyrrolidin-1-ylphenyl)benzamide is sourced from PubChem (CID 16557757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).