3-methyl-N-(quinolin-3-ylmethyl)benzenesulfonamide

C17H16N2O2S — CID 110733832

IUPAC3-methyl-N-(quinolin-3-ylmethyl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCc2cnc3ccccc3c2)c1
InChIInChI=1S/C17H16N2O2S/c1-13-5-4-7-16(9-13)22(20,21)19-12-14-10-15-6-2-3-8-17(15)18-11-14/h2-11,19H,12H2,1H3
InChIKeyXWLQJAAPJUMRNF-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.02
Rot. Bonds4

About 3-methyl-N-(quinolin-3-ylmethyl)benzenesulfonamide

3-methyl-N-(quinolin-3-ylmethyl)benzenesulfonamide (PubChem CID 110733832) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 3-methyl-N-(quinolin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-(quinolin-3-ylmethyl)benzenesulfonamide
PubChem CID110733832
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name3-methyl-N-(quinolin-3-ylmethyl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCc2cnc3ccccc3c2)c1
InChIInChI=1S/C17H16N2O2S/c1-13-5-4-7-16(9-13)22(20,21)19-12-14-10-15-6-2-3-8-17(15)18-11-14/h2-11,19H,12H2,1H3
InChIKeyXWLQJAAPJUMRNF-UHFFFAOYSA-N
XLogP3.02
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dimethyl-N-(quinolin-3-ylmethyl)pyrazole-4-sulfonamide
CID 16673858
3-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54897411
2-(3-methylphenyl)-N-(quinolin-3-ylmethyl)acetamide
CID 110733803
N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzenesulfonamide
CID 107232038
N-[[4-(chloromethyl)phenyl]methyl]-3-methylbenzenesulfonamide
CID 107234034
N-[(4-bromophenyl)methyl]-3-methylbenzenesulfonamide
CID 4994624
3-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzenesulfonamide
CID 110785691
N-[[4-(2-aminoethyl)phenyl]methyl]-3-methylbenzenesulfonamide
CID 62502158
3-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 110322586
N-[(3-chloro-4-methylphenyl)methyl]-3-methylbenzenesulfonamide
CID 3714590
N-(quinolin-3-ylmethyl)ethanamine
CID 16640553
3-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 49458470

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(quinolin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-methyl-N-(quinolin-3-ylmethyl)benzenesulfonamide (CID 110733832) is 3-methyl-N-(quinolin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-(quinolin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-methyl-N-(quinolin-3-ylmethyl)benzenesulfonamide is Cc1cccc(S(=O)(=O)NCc2cnc3ccccc3c2)c1.
What is the InChIKey of 3-methyl-N-(quinolin-3-ylmethyl)benzenesulfonamide?
The InChIKey is XWLQJAAPJUMRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-13-5-4-7-16(9-13)22(20,21)19-12-14-10-15-6-2-3-8-17(15)18-11-14/h2-11,19H,12H2,1H3.
What are the key properties of 3-methyl-N-(quinolin-3-ylmethyl)benzenesulfonamide?
3-methyl-N-(quinolin-3-ylmethyl)benzenesulfonamide has a molecular weight of 312.39 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(quinolin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 110733832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).