1-phenyl-N-(quinolin-4-ylmethyl)methanesulfonamide

C17H16N2O2S — CID 110734278

IUPAC1-phenyl-N-(quinolin-4-ylmethyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCc1ccnc2ccccc12
InChIInChI=1S/C17H16N2O2S/c20-22(21,13-14-6-2-1-3-7-14)19-12-15-10-11-18-17-9-5-4-8-16(15)17/h1-11,19H,12-13H2
InChIKeyOPPQNBLHMDBBDW-UHFFFAOYSA-N
MW312.39 g/mol
LogP2.85
Rot. Bonds5

About 1-phenyl-N-(quinolin-4-ylmethyl)methanesulfonamide

1-phenyl-N-(quinolin-4-ylmethyl)methanesulfonamide (PubChem CID 110734278) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 1-phenyl-N-(quinolin-4-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-phenyl-N-(quinolin-4-ylmethyl)methanesulfonamide
PubChem CID110734278
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name1-phenyl-N-(quinolin-4-ylmethyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCc1ccnc2ccccc12
InChIInChI=1S/C17H16N2O2S/c20-22(21,13-14-6-2-1-3-7-14)19-12-15-10-11-18-17-9-5-4-8-16(15)17/h1-11,19H,12-13H2
InChIKeyOPPQNBLHMDBBDW-UHFFFAOYSA-N
XLogP2.85
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-phenyl-N-(quinolin-4-ylmethyl)methanesulfonamide 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

1-phenyl-N-quinolin-5-ylmethanesulfonamide
CID 35282433
N-(quinolin-4-ylmethyl)thiophene-2-sulfonamide
CID 110734274
N-[(2-methoxy-3-pyridinyl)methyl]-1-phenylmethanesulfonamide
CID 35389696
1-phenyl-N-(pyridin-4-ylmethyl)methanesulfonamide
CID 669282
4-propan-2-yl-N-(quinolin-4-ylmethyl)benzenesulfonamide
CID 86042080
N-[(2-fluorophenyl)methyl]-1-phenylmethanesulfonamide
CID 7034179
2,5-dichloro-N-(quinolin-4-ylmethyl)benzenesulfonamide
CID 86042045
1-phenyl-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]methanesulfonamide
CID 110446196
N-(quinolin-4-ylmethyl)ethenamine
CID 166934821
2-methoxy-5-methyl-N-(quinolin-4-ylmethyl)benzenesulfonamide
CID 110734272
2-(3-methylphenyl)-N-(quinolin-4-ylmethyl)acetamide
CID 110734253
N,N-dimethyl-3-(quinolin-4-ylmethylsulfamoyl)benzamide
CID 77081152

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(quinolin-4-ylmethyl)methanesulfonamide?
The IUPAC name of 1-phenyl-N-(quinolin-4-ylmethyl)methanesulfonamide (CID 110734278) is 1-phenyl-N-(quinolin-4-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-phenyl-N-(quinolin-4-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-phenyl-N-(quinolin-4-ylmethyl)methanesulfonamide is O=S(=O)(Cc1ccccc1)NCc1ccnc2ccccc12.
What is the InChIKey of 1-phenyl-N-(quinolin-4-ylmethyl)methanesulfonamide?
The InChIKey is OPPQNBLHMDBBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c20-22(21,13-14-6-2-1-3-7-14)19-12-15-10-11-18-17-9-5-4-8-16(15)17/h1-11,19H,12-13H2.
What are the key properties of 1-phenyl-N-(quinolin-4-ylmethyl)methanesulfonamide?
1-phenyl-N-(quinolin-4-ylmethyl)methanesulfonamide has a molecular weight of 312.39 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(quinolin-4-ylmethyl)methanesulfonamide is sourced from PubChem (CID 110734278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).