4-(benzenesulfonylmethyl)-N-quinolin-3-ylbenzamide

C23H18N2O3S — CID 91641553

IUPAC4-(benzenesulfonylmethyl)-N-quinolin-3-ylbenzamide
SMILESO=C(Nc1cnc2ccccc2c1)c1ccc(CS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H18N2O3S/c26-23(25-20-14-19-6-4-5-9-22(19)24-15-20)18-12-10-17(11-13-18)16-29(27,28)21-7-2-1-3-8-21/h1-15H,16H2,(H,25,26)
InChIKeyKWOZGIDWUGAXKF-UHFFFAOYSA-N
MW402.48 g/mol
LogP4.46
Rot. Bonds5

About 4-(benzenesulfonylmethyl)-N-quinolin-3-ylbenzamide

4-(benzenesulfonylmethyl)-N-quinolin-3-ylbenzamide (PubChem CID 91641553) has the molecular formula C23H18N2O3S and a molecular weight of 402.48 g/mol. Its IUPAC name is 4-(benzenesulfonylmethyl)-N-quinolin-3-ylbenzamide.

Molecular Properties

Compound Name4-(benzenesulfonylmethyl)-N-quinolin-3-ylbenzamide
PubChem CID91641553
Molecular FormulaC23H18N2O3S
Molecular Weight402.48 g/mol
Exact Mass402.10
IUPAC Name4-(benzenesulfonylmethyl)-N-quinolin-3-ylbenzamide
SMILESO=C(Nc1cnc2ccccc2c1)c1ccc(CS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H18N2O3S/c26-23(25-20-14-19-6-4-5-9-22(19)24-15-20)18-12-10-17(11-13-18)16-29(27,28)21-7-2-1-3-8-21/h1-15H,16H2,(H,25,26)
InChIKeyKWOZGIDWUGAXKF-UHFFFAOYSA-N
XLogP4.46
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methoxymethyl)-N-quinolin-3-ylbenzamide
CID 18153378
4-methyl-N-quinolin-3-ylbenzamide
CID 974969
4-bromo-N-quinolin-3-ylbenzamide
CID 3301629
N-(2-benzamidophenyl)-4-(benzenesulfonylmethyl)benzamide
CID 55934258
4-(2-methylbutan-2-yl)-N-quinolin-3-ylbenzamide
CID 66815675
6-[benzyl(methyl)amino]-N-quinolin-3-ylpyridine-3-carboxamide
CID 10451671
6-chloro-N-quinolin-3-ylpyridine-3-carboxamide
CID 29330391
6-(methylamino)-N-quinolin-3-ylpyridine-3-carboxamide
CID 62808644
4-(azepan-1-yl)-N-quinolin-3-ylbenzamide
CID 66815489
3-(benzenesulfonamido)-N-quinolin-3-ylpropanamide
CID 52553671
4-(5-pentyl-2-pyridinyl)-N-quinolin-3-ylbenzamide
CID 5174853
3-chloro-N-quinolin-3-ylbenzamide
CID 3284385

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonylmethyl)-N-quinolin-3-ylbenzamide?
The IUPAC name of 4-(benzenesulfonylmethyl)-N-quinolin-3-ylbenzamide (CID 91641553) is 4-(benzenesulfonylmethyl)-N-quinolin-3-ylbenzamide.
What is the SMILES notation for 4-(benzenesulfonylmethyl)-N-quinolin-3-ylbenzamide?
The canonical SMILES for 4-(benzenesulfonylmethyl)-N-quinolin-3-ylbenzamide is O=C(Nc1cnc2ccccc2c1)c1ccc(CS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-(benzenesulfonylmethyl)-N-quinolin-3-ylbenzamide?
The InChIKey is KWOZGIDWUGAXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3S/c26-23(25-20-14-19-6-4-5-9-22(19)24-15-20)18-12-10-17(11-13-18)16-29(27,28)21-7-2-1-3-8-21/h1-15H,16H2,(H,25,26).
What are the key properties of 4-(benzenesulfonylmethyl)-N-quinolin-3-ylbenzamide?
4-(benzenesulfonylmethyl)-N-quinolin-3-ylbenzamide has a molecular weight of 402.48 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonylmethyl)-N-quinolin-3-ylbenzamide is sourced from PubChem (CID 91641553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).