N-[[4-(benzenesulfonyl)phenyl]methyl]quinoline-6-carboxamide

C23H18N2O3S — CID 56943128

IUPACN-[[4-(benzenesulfonyl)phenyl]methyl]quinoline-6-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)c1ccc2ncccc2c1
InChIInChI=1S/C23H18N2O3S/c26-23(19-10-13-22-18(15-19)5-4-14-24-22)25-16-17-8-11-21(12-9-17)29(27,28)20-6-2-1-3-7-20/h1-15H,16H2,(H,25,26)
InChIKeyQVYNMEDLJQAKAE-UHFFFAOYSA-N
MW402.48 g/mol
LogP4.00
Rot. Bonds5

About N-[[4-(benzenesulfonyl)phenyl]methyl]quinoline-6-carboxamide

N-[[4-(benzenesulfonyl)phenyl]methyl]quinoline-6-carboxamide (PubChem CID 56943128) has the molecular formula C23H18N2O3S and a molecular weight of 402.48 g/mol. Its IUPAC name is N-[[4-(benzenesulfonyl)phenyl]methyl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[[4-(benzenesulfonyl)phenyl]methyl]quinoline-6-carboxamide
PubChem CID56943128
Molecular FormulaC23H18N2O3S
Molecular Weight402.48 g/mol
Exact Mass402.10
IUPAC NameN-[[4-(benzenesulfonyl)phenyl]methyl]quinoline-6-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)c1ccc2ncccc2c1
InChIInChI=1S/C23H18N2O3S/c26-23(19-10-13-22-18(15-19)5-4-14-24-22)25-16-17-8-11-21(12-9-17)29(27,28)20-6-2-1-3-7-20/h1-15H,16H2,(H,25,26)
InChIKeyQVYNMEDLJQAKAE-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-(benzenesulfonyl)phenyl]methyl]quinoline-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-fluorophenyl)methyl]quinoline-6-carboxamide
CID 59192191
N-[[4-(phenoxymethyl)phenyl]methyl]quinoline-6-carboxamide
CID 59192187
N-[(4-phenylmethoxyphenyl)methyl]quinoline-6-carboxamide
CID 58387946
N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide
CID 71822071
N-[(4-butoxyphenyl)methyl]quinoline-6-carboxamide
CID 59192120
N-(2-phenylethyl)quinoline-6-carboxamide
CID 2823262
N-[(3-chlorophenyl)methyl]quinoline-6-carboxamide
CID 23653724
N-[(3-ethynylphenyl)methyl]quinoline-6-carboxamide
CID 59192286
N-[(5-benzylthiophen-2-yl)methyl]quinoline-6-carboxamide
CID 58388064
N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide
CID 59192094
N-[[3-(2-methylpropyl)phenyl]methyl]quinoline-6-carboxamide
CID 58387959
N-[(2,2-dimethyl-1,3-benzodioxol-5-yl)methyl]quinoline-6-carboxamide
CID 143817195

Frequently Asked Questions

What is the IUPAC name of N-[[4-(benzenesulfonyl)phenyl]methyl]quinoline-6-carboxamide?
The IUPAC name of N-[[4-(benzenesulfonyl)phenyl]methyl]quinoline-6-carboxamide (CID 56943128) is N-[[4-(benzenesulfonyl)phenyl]methyl]quinoline-6-carboxamide.
What is the SMILES notation for N-[[4-(benzenesulfonyl)phenyl]methyl]quinoline-6-carboxamide?
The canonical SMILES for N-[[4-(benzenesulfonyl)phenyl]methyl]quinoline-6-carboxamide is O=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)c1ccc2ncccc2c1.
What is the InChIKey of N-[[4-(benzenesulfonyl)phenyl]methyl]quinoline-6-carboxamide?
The InChIKey is QVYNMEDLJQAKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3S/c26-23(19-10-13-22-18(15-19)5-4-14-24-22)25-16-17-8-11-21(12-9-17)29(27,28)20-6-2-1-3-7-20/h1-15H,16H2,(H,25,26).
What are the key properties of N-[[4-(benzenesulfonyl)phenyl]methyl]quinoline-6-carboxamide?
N-[[4-(benzenesulfonyl)phenyl]methyl]quinoline-6-carboxamide has a molecular weight of 402.48 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(benzenesulfonyl)phenyl]methyl]quinoline-6-carboxamide is sourced from PubChem (CID 56943128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).