2,4-dimethyl-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzenesulfonamide

C24H28N2O2S — CID 8701696

IUPAC2,4-dimethyl-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@@H](c2cccc3ccccc23)N2CCCC2)c(C)c1
InChIInChI=1S/C24H28N2O2S/c1-18-12-13-24(19(2)16-18)29(27,28)25-17-23(26-14-5-6-15-26)22-11-7-9-20-8-3-4-10-21(20)22/h3-4,7-13,16,23,25H,5-6,14-15,17H2,1-2H3/t23-/m0/s1
InChIKeyBGLBFGXEMMOHRW-QHCPKHFHSA-N
MW408.57 g/mol
LogP4.57
Rot. Bonds6

About 2,4-dimethyl-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzenesulfonamide

2,4-dimethyl-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzenesulfonamide (PubChem CID 8701696) has the molecular formula C24H28N2O2S and a molecular weight of 408.57 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzenesulfonamide
PubChem CID8701696
Molecular FormulaC24H28N2O2S
Molecular Weight408.57 g/mol
Exact Mass408.19
IUPAC Name2,4-dimethyl-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@@H](c2cccc3ccccc23)N2CCCC2)c(C)c1
InChIInChI=1S/C24H28N2O2S/c1-18-12-13-24(19(2)16-18)29(27,28)25-17-23(26-14-5-6-15-26)22-11-7-9-20-8-3-4-10-21(20)22/h3-4,7-13,16,23,25H,5-6,14-15,17H2,1-2H3/t23-/m0/s1
InChIKeyBGLBFGXEMMOHRW-QHCPKHFHSA-N
XLogP4.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2,4-dimethylbenzenesulfonamide
CID 60529924
3,4-dimethyl-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 8701691
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,4-dimethylbenzenesulfonamide
CID 46799908
4-chloro-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 8701744
4-chloro-2-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 55689576
4-chloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylbenzenesulfonamide
CID 46452560
N-(2-hydroxy-2-naphthalen-1-ylethyl)-2,5-dimethylbenzenesulfonamide
CID 90497358
2,5-dimethyl-N-[(2S)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-ylethyl]benzenesulfonamide
CID 8701703
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2,4-dimethylbenzenesulfonamide
CID 35608543
4-fluoro-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-methylbenzenesulfonamide
CID 95367217
2-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-methylbenzenesulfonamide
CID 166326540
N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-sulfonamide
CID 112506471

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzenesulfonamide (CID 8701696) is 2,4-dimethyl-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NC[C@@H](c2cccc3ccccc23)N2CCCC2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzenesulfonamide?
The InChIKey is BGLBFGXEMMOHRW-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H28N2O2S/c1-18-12-13-24(19(2)16-18)29(27,28)25-17-23(26-14-5-6-15-26)22-11-7-9-20-8-3-4-10-21(20)22/h3-4,7-13,16,23,25H,5-6,14-15,17H2,1-2H3/t23-/m0/s1.
What are the key properties of 2,4-dimethyl-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzenesulfonamide?
2,4-dimethyl-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzenesulfonamide has a molecular weight of 408.57 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzenesulfonamide is sourced from PubChem (CID 8701696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).