4-methyl-N-(1-naphthalen-1-yl-2-pyridin-4-ylethyl)benzenesulfonamide

C24H22N2O2S — CID 134836485

IUPAC4-methyl-N-(1-naphthalen-1-yl-2-pyridin-4-ylethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(Cc2ccncc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C24H22N2O2S/c1-18-9-11-21(12-10-18)29(27,28)26-24(17-19-13-15-25-16-14-19)23-8-4-6-20-5-2-3-7-22(20)23/h2-16,24,26H,17H2,1H3
InChIKeyMROVXIVHPCBHGT-UHFFFAOYSA-N
MW402.52 g/mol
LogP4.81
Rot. Bonds6

About 4-methyl-N-(1-naphthalen-1-yl-2-pyridin-4-ylethyl)benzenesulfonamide

4-methyl-N-(1-naphthalen-1-yl-2-pyridin-4-ylethyl)benzenesulfonamide (PubChem CID 134836485) has the molecular formula C24H22N2O2S and a molecular weight of 402.52 g/mol. Its IUPAC name is 4-methyl-N-(1-naphthalen-1-yl-2-pyridin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(1-naphthalen-1-yl-2-pyridin-4-ylethyl)benzenesulfonamide
PubChem CID134836485
Molecular FormulaC24H22N2O2S
Molecular Weight402.52 g/mol
Exact Mass402.14
IUPAC Name4-methyl-N-(1-naphthalen-1-yl-2-pyridin-4-ylethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(Cc2ccncc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C24H22N2O2S/c1-18-9-11-21(12-10-18)29(27,28)26-24(17-19-13-15-25-16-14-19)23-8-4-6-20-5-2-3-7-22(20)23/h2-16,24,26H,17H2,1H3
InChIKeyMROVXIVHPCBHGT-UHFFFAOYSA-N
XLogP4.81
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-isoquinolin-4-yl-N-methyl-2-(4-methylphenyl)ethanamine
CID 63939404
3-hydroxy-2-[(4-methylphenyl)sulfonylamino]-N-(1-naphthalen-1-ylethyl)butanamide
CID 112771331
4-methyl-N-[(2S)-1,1,1-trideuterio-3-phenylpropan-2-yl]benzenesulfonamide
CID 71752636
N-[1-(3-amino-1H-pyrazol-5-yl)-2-phenylethyl]-4-methylbenzenesulfonamide
CID 143574506
N-[1-(2-bromophenyl)-2-hydroxyethyl]-4-methylbenzenesulfonamide
CID 171590028
2-(4-methylphenyl)sulfonyl-2-naphthalen-1-ylacetonitrile
CID 10496014
N-(3-chloro-1-phenylpropyl)-4-methylbenzenesulfonamide
CID 4961653
N-(1-hydroxy-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide
CID 5155581
N-[(2R)-1-chloro-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide
CID 102467096
N-(2-amino-1-phenylethyl)-4-methylbenzenesulfonamide
CID 18003405
2-(4-fluorophenyl)-N-methyl-1-naphthalen-1-ylethanamine
CID 61065371
4-methyl-N-[(2S)-1-phenylpentan-2-yl]benzenesulfonamide
CID 45102181

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-naphthalen-1-yl-2-pyridin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(1-naphthalen-1-yl-2-pyridin-4-ylethyl)benzenesulfonamide (CID 134836485) is 4-methyl-N-(1-naphthalen-1-yl-2-pyridin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(1-naphthalen-1-yl-2-pyridin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(1-naphthalen-1-yl-2-pyridin-4-ylethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC(Cc2ccncc2)c2cccc3ccccc23)cc1.
What is the InChIKey of 4-methyl-N-(1-naphthalen-1-yl-2-pyridin-4-ylethyl)benzenesulfonamide?
The InChIKey is MROVXIVHPCBHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2S/c1-18-9-11-21(12-10-18)29(27,28)26-24(17-19-13-15-25-16-14-19)23-8-4-6-20-5-2-3-7-22(20)23/h2-16,24,26H,17H2,1H3.
What are the key properties of 4-methyl-N-(1-naphthalen-1-yl-2-pyridin-4-ylethyl)benzenesulfonamide?
4-methyl-N-(1-naphthalen-1-yl-2-pyridin-4-ylethyl)benzenesulfonamide has a molecular weight of 402.52 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-naphthalen-1-yl-2-pyridin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 134836485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).