N-benzyl-3-methyl-N-(2-phenylethyl)benzenesulfonamide

C22H23NO2S — CID 175361860

IUPACN-benzyl-3-methyl-N-(2-phenylethyl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N(CCc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C22H23NO2S/c1-19-9-8-14-22(17-19)26(24,25)23(18-21-12-6-3-7-13-21)16-15-20-10-4-2-5-11-20/h2-14,17H,15-16,18H2,1H3
InChIKeyIUEVNVGJWVLUJY-UHFFFAOYSA-N
MW365.50 g/mol
LogP4.43
Rot. Bonds7

About N-benzyl-3-methyl-N-(2-phenylethyl)benzenesulfonamide

N-benzyl-3-methyl-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 175361860) has the molecular formula C22H23NO2S and a molecular weight of 365.50 g/mol. Its IUPAC name is N-benzyl-3-methyl-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-3-methyl-N-(2-phenylethyl)benzenesulfonamide
PubChem CID175361860
Molecular FormulaC22H23NO2S
Molecular Weight365.50 g/mol
Exact Mass365.14
IUPAC NameN-benzyl-3-methyl-N-(2-phenylethyl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N(CCc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C22H23NO2S/c1-19-9-8-14-22(17-19)26(24,25)23(18-21-12-6-3-7-13-21)16-15-20-10-4-2-5-11-20/h2-14,17H,15-16,18H2,1H3
InChIKeyIUEVNVGJWVLUJY-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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Related Compounds

N,N-bis[2-[benzyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 10700219
N-benzyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 54184847
N,N-dibenzyl-3-[(dimethylamino)methyl]benzenesulfonamide
CID 59826387
N-benzyl-N-(4-bromophenyl)-3-methylbenzenesulfonamide
CID 46022840
3-amino-N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111629
N-benzyl-N-(2-chloroethyl)benzenesulfonamide
CID 14170856
N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 668951
N-benzyl-3-cyano-N-(2-hydroxyethyl)benzenesulfonamide
CID 3252921
N,N-dibenzyl-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 126067531
N-benzyl-N-ethylbenzenesulfonamide
CID 668950
N-(3-methylphenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1232004
3-chloro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084535

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-methyl-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of N-benzyl-3-methyl-N-(2-phenylethyl)benzenesulfonamide (CID 175361860) is N-benzyl-3-methyl-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-3-methyl-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for N-benzyl-3-methyl-N-(2-phenylethyl)benzenesulfonamide is Cc1cccc(S(=O)(=O)N(CCc2ccccc2)Cc2ccccc2)c1.
What is the InChIKey of N-benzyl-3-methyl-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is IUEVNVGJWVLUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2S/c1-19-9-8-14-22(17-19)26(24,25)23(18-21-12-6-3-7-13-21)16-15-20-10-4-2-5-11-20/h2-14,17H,15-16,18H2,1H3.
What are the key properties of N-benzyl-3-methyl-N-(2-phenylethyl)benzenesulfonamide?
N-benzyl-3-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-3-methyl-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 175361860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).