N,4-dimethyl-N-(2,2,4,7-tetramethyl-1H-quinolin-6-yl)benzenesulfonamide

C21H26N2O2S — CID 68619908

IUPACN,4-dimethyl-N-(2,2,4,7-tetramethyl-1H-quinolin-6-yl)benzenesulfonamide
SMILESCC1=CC(C)(C)Nc2cc(C)c(N(C)S(=O)(=O)c3ccc(C)cc3)cc21
InChIInChI=1S/C21H26N2O2S/c1-14-7-9-17(10-8-14)26(24,25)23(6)20-12-18-16(3)13-21(4,5)22-19(18)11-15(20)2/h7-13,22H,1-6H3
InChIKeyNJPGLYVFVCYVPP-UHFFFAOYSA-N
MW370.52 g/mol
LogP4.74
Rot. Bonds3

About N,4-dimethyl-N-(2,2,4,7-tetramethyl-1H-quinolin-6-yl)benzenesulfonamide

N,4-dimethyl-N-(2,2,4,7-tetramethyl-1H-quinolin-6-yl)benzenesulfonamide (PubChem CID 68619908) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is N,4-dimethyl-N-(2,2,4,7-tetramethyl-1H-quinolin-6-yl)benzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-N-(2,2,4,7-tetramethyl-1H-quinolin-6-yl)benzenesulfonamide
PubChem CID68619908
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC NameN,4-dimethyl-N-(2,2,4,7-tetramethyl-1H-quinolin-6-yl)benzenesulfonamide
SMILESCC1=CC(C)(C)Nc2cc(C)c(N(C)S(=O)(=O)c3ccc(C)cc3)cc21
InChIInChI=1S/C21H26N2O2S/c1-14-7-9-17(10-8-14)26(24,25)23(6)20-12-18-16(3)13-21(4,5)22-19(18)11-15(20)2/h7-13,22H,1-6H3
InChIKeyNJPGLYVFVCYVPP-UHFFFAOYSA-N
XLogP4.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-(2,2,4,7-tetramethyl-1H-quinolin-6-yl)benzenesulfonamide?
The IUPAC name of N,4-dimethyl-N-(2,2,4,7-tetramethyl-1H-quinolin-6-yl)benzenesulfonamide (CID 68619908) is N,4-dimethyl-N-(2,2,4,7-tetramethyl-1H-quinolin-6-yl)benzenesulfonamide.
What is the SMILES notation for N,4-dimethyl-N-(2,2,4,7-tetramethyl-1H-quinolin-6-yl)benzenesulfonamide?
The canonical SMILES for N,4-dimethyl-N-(2,2,4,7-tetramethyl-1H-quinolin-6-yl)benzenesulfonamide is CC1=CC(C)(C)Nc2cc(C)c(N(C)S(=O)(=O)c3ccc(C)cc3)cc21.
What is the InChIKey of N,4-dimethyl-N-(2,2,4,7-tetramethyl-1H-quinolin-6-yl)benzenesulfonamide?
The InChIKey is NJPGLYVFVCYVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-14-7-9-17(10-8-14)26(24,25)23(6)20-12-18-16(3)13-21(4,5)22-19(18)11-15(20)2/h7-13,22H,1-6H3.
What are the key properties of N,4-dimethyl-N-(2,2,4,7-tetramethyl-1H-quinolin-6-yl)benzenesulfonamide?
N,4-dimethyl-N-(2,2,4,7-tetramethyl-1H-quinolin-6-yl)benzenesulfonamide has a molecular weight of 370.52 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-(2,2,4,7-tetramethyl-1H-quinolin-6-yl)benzenesulfonamide is sourced from PubChem (CID 68619908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).