4-methyl-N-[(2R)-2-(2-methylquinolin-6-yl)hexyl]benzenesulfonamide

C23H28N2O2S — CID 102455391

IUPAC4-methyl-N-[(2R)-2-(2-methylquinolin-6-yl)hexyl]benzenesulfonamide
SMILESCCCC[C@@H](CNS(=O)(=O)c1ccc(C)cc1)c1ccc2nc(C)ccc2c1
InChIInChI=1S/C23H28N2O2S/c1-4-5-6-21(16-24-28(26,27)22-12-7-17(2)8-13-22)19-11-14-23-20(15-19)10-9-18(3)25-23/h7-15,21,24H,4-6,16H2,1-3H3/t21-/m0/s1
InChIKeyWHXHCDPUROWJEA-NRFANRHFSA-N
MW396.56 g/mol
LogP5.10
Rot. Bonds8

About 4-methyl-N-[(2R)-2-(2-methylquinolin-6-yl)hexyl]benzenesulfonamide

4-methyl-N-[(2R)-2-(2-methylquinolin-6-yl)hexyl]benzenesulfonamide (PubChem CID 102455391) has the molecular formula C23H28N2O2S and a molecular weight of 396.56 g/mol. Its IUPAC name is 4-methyl-N-[(2R)-2-(2-methylquinolin-6-yl)hexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(2R)-2-(2-methylquinolin-6-yl)hexyl]benzenesulfonamide
PubChem CID102455391
Molecular FormulaC23H28N2O2S
Molecular Weight396.56 g/mol
Exact Mass396.19
IUPAC Name4-methyl-N-[(2R)-2-(2-methylquinolin-6-yl)hexyl]benzenesulfonamide
SMILESCCCC[C@@H](CNS(=O)(=O)c1ccc(C)cc1)c1ccc2nc(C)ccc2c1
InChIInChI=1S/C23H28N2O2S/c1-4-5-6-21(16-24-28(26,27)22-12-7-17(2)8-13-22)19-11-14-23-20(15-19)10-9-18(3)25-23/h7-15,21,24H,4-6,16H2,1-3H3/t21-/m0/s1
InChIKeyWHXHCDPUROWJEA-NRFANRHFSA-N
XLogP5.10
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.56
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-hydroxyhexyl]-4-methylbenzenesulfonamide
CID 135005405
2,2-dimethyl-N-[4-[1-[(4-methylphenyl)sulfonylamino]hexan-2-yl]phenyl]propanamide
CID 134945858
1-[(4-methylphenyl)sulfonylamino]hexan-2-yl acetate
CID 101158794
N-(2-azidohexyl)-4-methylbenzenesulfonamide
CID 11266449
4-methyl-N-[(2R)-2-[(4-methylphenyl)sulfonylamino]octyl]benzenesulfonamide
CID 101389381
4-(4-methylphenyl)-N-(2-methylpropyl)benzenesulfonamide
CID 70038697
N-[2-[(4-methylphenyl)sulfonylamino]-1-naphthalen-2-ylethyl]-1-phenylethanimine oxide
CID 146166486
[2-methyl-1-(2-methylquinolin-6-yl)pentyl]hydrazine
CID 105327228
N-[2-methoxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 12032651
1-(2-methylquinolin-6-yl)-N-propylpropan-1-amine
CID 81220852
2-amino-N-butylquinoline-6-sulfonamide
CID 62148529
N-(2,2-difluoroethyl)-2-(methylamino)quinoline-6-sulfonamide
CID 115408548

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2R)-2-(2-methylquinolin-6-yl)hexyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(2R)-2-(2-methylquinolin-6-yl)hexyl]benzenesulfonamide (CID 102455391) is 4-methyl-N-[(2R)-2-(2-methylquinolin-6-yl)hexyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(2R)-2-(2-methylquinolin-6-yl)hexyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(2R)-2-(2-methylquinolin-6-yl)hexyl]benzenesulfonamide is CCCC[C@@H](CNS(=O)(=O)c1ccc(C)cc1)c1ccc2nc(C)ccc2c1.
What is the InChIKey of 4-methyl-N-[(2R)-2-(2-methylquinolin-6-yl)hexyl]benzenesulfonamide?
The InChIKey is WHXHCDPUROWJEA-NRFANRHFSA-N. The full InChI is InChI=1S/C23H28N2O2S/c1-4-5-6-21(16-24-28(26,27)22-12-7-17(2)8-13-22)19-11-14-23-20(15-19)10-9-18(3)25-23/h7-15,21,24H,4-6,16H2,1-3H3/t21-/m0/s1.
What are the key properties of 4-methyl-N-[(2R)-2-(2-methylquinolin-6-yl)hexyl]benzenesulfonamide?
4-methyl-N-[(2R)-2-(2-methylquinolin-6-yl)hexyl]benzenesulfonamide has a molecular weight of 396.56 g/mol, XLogP of 5.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2R)-2-(2-methylquinolin-6-yl)hexyl]benzenesulfonamide is sourced from PubChem (CID 102455391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).