N,4-dimethyl-N-(quinolin-3-ylmethyl)benzenesulfonamide

C18H18N2O2S — CID 110733912

IUPACN,4-dimethyl-N-(quinolin-3-ylmethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)Cc2cnc3ccccc3c2)cc1
InChIInChI=1S/C18H18N2O2S/c1-14-7-9-17(10-8-14)23(21,22)20(2)13-15-11-16-5-3-4-6-18(16)19-12-15/h3-12H,13H2,1-2H3
InChIKeyNCJAMIGYJBSERR-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.36
Rot. Bonds4

About N,4-dimethyl-N-(quinolin-3-ylmethyl)benzenesulfonamide

N,4-dimethyl-N-(quinolin-3-ylmethyl)benzenesulfonamide (PubChem CID 110733912) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is N,4-dimethyl-N-(quinolin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-N-(quinolin-3-ylmethyl)benzenesulfonamide
PubChem CID110733912
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC NameN,4-dimethyl-N-(quinolin-3-ylmethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)Cc2cnc3ccccc3c2)cc1
InChIInChI=1S/C18H18N2O2S/c1-14-7-9-17(10-8-14)23(21,22)20(2)13-15-11-16-5-3-4-6-18(16)19-12-15/h3-12H,13H2,1-2H3
InChIKeyNCJAMIGYJBSERR-UHFFFAOYSA-N
XLogP3.36
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 17491199
sodium 4-[(4-methylisoquinolin-3-yl)-(quinolin-3-ylmethyl)sulfamoyl]benzoate
CID 91937478
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-quinolin-3-ylacetamide
CID 18146512
N,4-dimethyl-N-[(3-nitrophenyl)methyl]benzenesulfonamide
CID 8891186
3-methyl-N-(quinolin-3-ylmethyl)benzenesulfonamide
CID 110733832
N-benzyl-N-methyl-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 20958761
N,4-dimethyl-N-[[4-[[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]carbamoyl]phenyl]methyl]benzenesulfonamide
CID 2432161
2-(4-methoxyphenyl)-N-methyl-N-(quinolin-3-ylmethyl)acetamide
CID 110733880
3-(2-methylpropyl)quinoline
CID 12072851
N-(1,3-benzothiazol-2-ylmethyl)-4-methoxy-N-methylbenzenesulfonamide
CID 9189850
2-[propan-2-yl(quinolin-3-ylmethyl)amino]ethanol
CID 113345069
N-[(2-ethoxyphenyl)methyl]-N,4-dimethylbenzenesulfonamide
CID 26003303

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-(quinolin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of N,4-dimethyl-N-(quinolin-3-ylmethyl)benzenesulfonamide (CID 110733912) is N,4-dimethyl-N-(quinolin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N,4-dimethyl-N-(quinolin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for N,4-dimethyl-N-(quinolin-3-ylmethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)Cc2cnc3ccccc3c2)cc1.
What is the InChIKey of N,4-dimethyl-N-(quinolin-3-ylmethyl)benzenesulfonamide?
The InChIKey is NCJAMIGYJBSERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-14-7-9-17(10-8-14)23(21,22)20(2)13-15-11-16-5-3-4-6-18(16)19-12-15/h3-12H,13H2,1-2H3.
What are the key properties of N,4-dimethyl-N-(quinolin-3-ylmethyl)benzenesulfonamide?
N,4-dimethyl-N-(quinolin-3-ylmethyl)benzenesulfonamide has a molecular weight of 326.42 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-(quinolin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 110733912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).