N-[2-[(4R)-4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]ethyl]-4-methylbenzenesulfonamide

C23H30ClNO3S — CID 41088597

IUPACN-[2-[(4R)-4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC[C@]2(Cc3ccccc3Cl)CCOC(C)(C)C2)cc1
InChIInChI=1S/C23H30ClNO3S/c1-18-8-10-20(11-9-18)29(26,27)25-14-12-23(13-15-28-22(2,3)17-23)16-19-6-4-5-7-21(19)24/h4-11,25H,12-17H2,1-3H3/t23-/m1/s1
InChIKeyLLSGPWQVIRWBQM-HSZRJFAPSA-N
MW436.02 g/mol
LogP5.13
Rot. Bonds7

About N-[2-[(4R)-4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]ethyl]-4-methylbenzenesulfonamide

N-[2-[(4R)-4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]ethyl]-4-methylbenzenesulfonamide (PubChem CID 41088597) has the molecular formula C23H30ClNO3S and a molecular weight of 436.02 g/mol. Its IUPAC name is N-[2-[(4R)-4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]ethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[(4R)-4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]ethyl]-4-methylbenzenesulfonamide
PubChem CID41088597
Molecular FormulaC23H30ClNO3S
Molecular Weight436.02 g/mol
Exact Mass435.16
IUPAC NameN-[2-[(4R)-4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC[C@]2(Cc3ccccc3Cl)CCOC(C)(C)C2)cc1
InChIInChI=1S/C23H30ClNO3S/c1-18-8-10-20(11-9-18)29(26,27)25-14-12-23(13-15-28-22(2,3)17-23)16-19-6-4-5-7-21(19)24/h4-11,25H,12-17H2,1-3H3/t23-/m1/s1
InChIKeyLLSGPWQVIRWBQM-HSZRJFAPSA-N
XLogP5.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.02
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[(4R)-4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]ethyl]-4-methylbenzenesulfonamide with MolForge

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Related Compounds

2-[4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]-N-[(2-fluorophenyl)methyl]ethanamine
CID 4588238
N-[2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]benzenesulfonamide
CID 1076269
N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzenesulfonamide
CID 17101564
N-[(3-chloro-2-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 58009712
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methylbenzenesulfonamide
CID 110292782
4-N-[(2-chlorophenyl)methyl]-1-N-methylbenzene-1,4-disulfonamide
CID 58188904
4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316
4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 2492101
N-[2-[6-[(2-chlorophenyl)methylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-4-methylbenzenesulfonamide
CID 43957949
4-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 12673073
N-[2-[(7S)-1,7-dimethyl-2-oxo-7-bicyclo[2.2.1]heptanyl]ethyl]-4-methylbenzenesulfonamide
CID 16681770
4-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide
CID 42269303

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4R)-4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]ethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-[(4R)-4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]ethyl]-4-methylbenzenesulfonamide (CID 41088597) is N-[2-[(4R)-4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]ethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-[(4R)-4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]ethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-[(4R)-4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]ethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCC[C@]2(Cc3ccccc3Cl)CCOC(C)(C)C2)cc1.
What is the InChIKey of N-[2-[(4R)-4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]ethyl]-4-methylbenzenesulfonamide?
The InChIKey is LLSGPWQVIRWBQM-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H30ClNO3S/c1-18-8-10-20(11-9-18)29(26,27)25-14-12-23(13-15-28-22(2,3)17-23)16-19-6-4-5-7-21(19)24/h4-11,25H,12-17H2,1-3H3/t23-/m1/s1.
What are the key properties of N-[2-[(4R)-4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]ethyl]-4-methylbenzenesulfonamide?
N-[2-[(4R)-4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]ethyl]-4-methylbenzenesulfonamide has a molecular weight of 436.02 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4R)-4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]ethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 41088597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).