N-benzyl-4-methyl-N-(2-phenylethyl)benzenesulfonamide

C22H23NO2S — CID 71720085

IUPACN-benzyl-4-methyl-N-(2-phenylethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C22H23NO2S/c1-19-12-14-22(15-13-19)26(24,25)23(18-21-10-6-3-7-11-21)17-16-20-8-4-2-5-9-20/h2-15H,16-18H2,1H3
InChIKeyHRLPIXNETYNNCE-UHFFFAOYSA-N
MW365.50 g/mol
LogP4.43
Rot. Bonds7

About N-benzyl-4-methyl-N-(2-phenylethyl)benzenesulfonamide

N-benzyl-4-methyl-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 71720085) has the molecular formula C22H23NO2S and a molecular weight of 365.50 g/mol. Its IUPAC name is N-benzyl-4-methyl-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-methyl-N-(2-phenylethyl)benzenesulfonamide
PubChem CID71720085
Molecular FormulaC22H23NO2S
Molecular Weight365.50 g/mol
Exact Mass365.14
IUPAC NameN-benzyl-4-methyl-N-(2-phenylethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C22H23NO2S/c1-19-12-14-22(15-13-19)26(24,25)23(18-21-10-6-3-7-11-21)17-16-20-8-4-2-5-9-20/h2-15H,16-18H2,1H3
InChIKeyHRLPIXNETYNNCE-UHFFFAOYSA-N
XLogP4.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of N-benzyl-4-methyl-N-(2-phenylethyl)benzenesulfonamide (CID 71720085) is N-benzyl-4-methyl-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-4-methyl-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for N-benzyl-4-methyl-N-(2-phenylethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(CCc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of N-benzyl-4-methyl-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is HRLPIXNETYNNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2S/c1-19-12-14-22(15-13-19)26(24,25)23(18-21-10-6-3-7-11-21)17-16-20-8-4-2-5-9-20/h2-15H,16-18H2,1H3.
What are the key properties of N-benzyl-4-methyl-N-(2-phenylethyl)benzenesulfonamide?
N-benzyl-4-methyl-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 365.50 g/mol, XLogP of 4.43, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 71720085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).