N-[2-(3,4-dihydronaphthalen-1-yl)-1-phenylethyl]-4-methylbenzenesulfonamide

C25H25NO2S — CID 11811529

IUPACN-[2-(3,4-dihydronaphthalen-1-yl)-1-phenylethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(CC2=CCCc3ccccc32)c2ccccc2)cc1
InChIInChI=1S/C25H25NO2S/c1-19-14-16-23(17-15-19)29(27,28)26-25(21-9-3-2-4-10-21)18-22-12-7-11-20-8-5-6-13-24(20)22/h2-6,8-10,12-17,25-26H,7,11,18H2,1H3
InChIKeyNNHTUVCKBUKFGQ-UHFFFAOYSA-N
MW403.55 g/mol
LogP5.43
Rot. Bonds6

About N-[2-(3,4-dihydronaphthalen-1-yl)-1-phenylethyl]-4-methylbenzenesulfonamide

N-[2-(3,4-dihydronaphthalen-1-yl)-1-phenylethyl]-4-methylbenzenesulfonamide (PubChem CID 11811529) has the molecular formula C25H25NO2S and a molecular weight of 403.55 g/mol. Its IUPAC name is N-[2-(3,4-dihydronaphthalen-1-yl)-1-phenylethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydronaphthalen-1-yl)-1-phenylethyl]-4-methylbenzenesulfonamide
PubChem CID11811529
Molecular FormulaC25H25NO2S
Molecular Weight403.55 g/mol
Exact Mass403.16
IUPAC NameN-[2-(3,4-dihydronaphthalen-1-yl)-1-phenylethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(CC2=CCCc3ccccc32)c2ccccc2)cc1
InChIInChI=1S/C25H25NO2S/c1-19-14-16-23(17-15-19)29(27,28)26-25(21-9-3-2-4-10-21)18-22-12-7-11-20-8-5-6-13-24(20)22/h2-6,8-10,12-17,25-26H,7,11,18H2,1H3
InChIKeyNNHTUVCKBUKFGQ-UHFFFAOYSA-N
XLogP5.43
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.55
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-1-phenylethyl)-4-methylbenzenesulfonamide
CID 18003405
4-methyl-N-(3-oxo-1-phenylpropyl)benzenesulfonamide
CID 16743861
N-(3-chloro-1-phenylpropyl)-4-methylbenzenesulfonamide
CID 4961653
4-methyl-N-(1-phenyl-4-phenylsulfanylpentyl)benzenesulfonamide
CID 152503716
N-(3-chloro-1-phenylbut-3-enyl)-4-methylbenzenesulfonamide
CID 101424945
4-methyl-N-[2-(1-methylimidazol-2-yl)-1-phenylethyl]benzenesulfonamide
CID 102352481
N-[(1S)-4-chloro-3-oxo-1-phenylbutyl]-4-methylbenzenesulfonamide
CID 134499747
N-[(Z,1R)-1,4-diphenylbut-3-enyl]-4-methylbenzenesulfonamide
CID 11696524
4-methyl-N-[1-phenyl-3-(3,4,5-trimethoxyphenyl)propyl]benzenesulfonamide
CID 156775716
4-methyl-N-[1-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]benzenesulfonamide
CID 102133707
[2-[(4-methylphenyl)sulfonylamino]-2-phenylethyl] propanoate
CID 122211844
methyl 7-[(4-methylphenyl)sulfonylamino]-7-phenylheptanoate
CID 139616765

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydronaphthalen-1-yl)-1-phenylethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(3,4-dihydronaphthalen-1-yl)-1-phenylethyl]-4-methylbenzenesulfonamide (CID 11811529) is N-[2-(3,4-dihydronaphthalen-1-yl)-1-phenylethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(3,4-dihydronaphthalen-1-yl)-1-phenylethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(3,4-dihydronaphthalen-1-yl)-1-phenylethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC(CC2=CCCc3ccccc32)c2ccccc2)cc1.
What is the InChIKey of N-[2-(3,4-dihydronaphthalen-1-yl)-1-phenylethyl]-4-methylbenzenesulfonamide?
The InChIKey is NNHTUVCKBUKFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2S/c1-19-14-16-23(17-15-19)29(27,28)26-25(21-9-3-2-4-10-21)18-22-12-7-11-20-8-5-6-13-24(20)22/h2-6,8-10,12-17,25-26H,7,11,18H2,1H3.
What are the key properties of N-[2-(3,4-dihydronaphthalen-1-yl)-1-phenylethyl]-4-methylbenzenesulfonamide?
N-[2-(3,4-dihydronaphthalen-1-yl)-1-phenylethyl]-4-methylbenzenesulfonamide has a molecular weight of 403.55 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydronaphthalen-1-yl)-1-phenylethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 11811529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).