N-benzyl-N-(6-fluoro-2,3-diphenylquinolin-4-yl)methanesulfonamide

C29H23FN2O2S — CID 166442185

IUPACN-benzyl-N-(6-fluoro-2,3-diphenylquinolin-4-yl)methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccccc1)c1c(-c2ccccc2)c(-c2ccccc2)nc2ccc(F)cc12
InChIInChI=1S/C29H23FN2O2S/c1-35(33,34)32(20-21-11-5-2-6-12-21)29-25-19-24(30)17-18-26(25)31-28(23-15-9-4-10-16-23)27(29)22-13-7-3-8-14-22/h2-19H,20H2,1H3
InChIKeyHXKPSEFKGVAIHQ-UHFFFAOYSA-N
MW482.58 g/mol
LogP6.67
Rot. Bonds6

About N-benzyl-N-(6-fluoro-2,3-diphenylquinolin-4-yl)methanesulfonamide

N-benzyl-N-(6-fluoro-2,3-diphenylquinolin-4-yl)methanesulfonamide (PubChem CID 166442185) has the molecular formula C29H23FN2O2S and a molecular weight of 482.58 g/mol. Its IUPAC name is N-benzyl-N-(6-fluoro-2,3-diphenylquinolin-4-yl)methanesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-(6-fluoro-2,3-diphenylquinolin-4-yl)methanesulfonamide
PubChem CID166442185
Molecular FormulaC29H23FN2O2S
Molecular Weight482.58 g/mol
Exact Mass482.15
IUPAC NameN-benzyl-N-(6-fluoro-2,3-diphenylquinolin-4-yl)methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccccc1)c1c(-c2ccccc2)c(-c2ccccc2)nc2ccc(F)cc12
InChIInChI=1S/C29H23FN2O2S/c1-35(33,34)32(20-21-11-5-2-6-12-21)29-25-19-24(30)17-18-26(25)31-28(23-15-9-4-10-16-23)27(29)22-13-7-3-8-14-22/h2-19H,20H2,1H3
InChIKeyHXKPSEFKGVAIHQ-UHFFFAOYSA-N
XLogP6.67
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.58
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(7-fluoro-2,3-diphenylquinolin-4-yl)methanesulfonamide
CID 166442184
N-(6-bromo-2,3-diphenylquinolin-4-yl)-N-methylsulfonylmethanesulfonamide
CID 155589095
6-fluoro-2,3-diphenylquinoxaline
CID 3700648
4-chloro-6-fluoro-2-phenyl-3-pyridin-4-ylquinoline
CID 139651657
3-(dimethylamino)-6-fluoro-2-(4-phenylphenyl)quinoline-4-carboxylic acid
CID 15085956
2,4-dichloro-6-fluoro-3-phenylquinoline
CID 2780763
N-benzyl-N-phenylmethanesulfonamide;ethane
CID 142134956
3-ethyl-7-fluoro-2-phenylquinoline-4-carboxylic acid
CID 43823131
6-fluoro-3,4-diphenylquinolin-2-amine
CID 164679662
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylsulfamoyl]-N-methyl-1-phenylmethanamine
CID 131926246
N-benzyl-N-(2-methoxyphenyl)methanesulfonamide
CID 6459309
6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methyl-N-methylsulfonylquinoline-4-carboxamide
CID 162659635

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(6-fluoro-2,3-diphenylquinolin-4-yl)methanesulfonamide?
The IUPAC name of N-benzyl-N-(6-fluoro-2,3-diphenylquinolin-4-yl)methanesulfonamide (CID 166442185) is N-benzyl-N-(6-fluoro-2,3-diphenylquinolin-4-yl)methanesulfonamide.
What is the SMILES notation for N-benzyl-N-(6-fluoro-2,3-diphenylquinolin-4-yl)methanesulfonamide?
The canonical SMILES for N-benzyl-N-(6-fluoro-2,3-diphenylquinolin-4-yl)methanesulfonamide is CS(=O)(=O)N(Cc1ccccc1)c1c(-c2ccccc2)c(-c2ccccc2)nc2ccc(F)cc12.
What is the InChIKey of N-benzyl-N-(6-fluoro-2,3-diphenylquinolin-4-yl)methanesulfonamide?
The InChIKey is HXKPSEFKGVAIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23FN2O2S/c1-35(33,34)32(20-21-11-5-2-6-12-21)29-25-19-24(30)17-18-26(25)31-28(23-15-9-4-10-16-23)27(29)22-13-7-3-8-14-22/h2-19H,20H2,1H3.
What are the key properties of N-benzyl-N-(6-fluoro-2,3-diphenylquinolin-4-yl)methanesulfonamide?
N-benzyl-N-(6-fluoro-2,3-diphenylquinolin-4-yl)methanesulfonamide has a molecular weight of 482.58 g/mol, XLogP of 6.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(6-fluoro-2,3-diphenylquinolin-4-yl)methanesulfonamide is sourced from PubChem (CID 166442185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).