N,N-dibenzyl-4-ethoxybenzenesulfonamide

C22H23NO3S — CID 1338803

IUPACN,N-dibenzyl-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C22H23NO3S/c1-2-26-21-13-15-22(16-14-21)27(24,25)23(17-19-9-5-3-6-10-19)18-20-11-7-4-8-12-20/h3-16H,2,17-18H2,1H3
InChIKeyPHEQGZDICCOLSR-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.48
Rot. Bonds8

About N,N-dibenzyl-4-ethoxybenzenesulfonamide

N,N-dibenzyl-4-ethoxybenzenesulfonamide (PubChem CID 1338803) has the molecular formula C22H23NO3S and a molecular weight of 381.50 g/mol. Its IUPAC name is N,N-dibenzyl-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN,N-dibenzyl-4-ethoxybenzenesulfonamide
PubChem CID1338803
Molecular FormulaC22H23NO3S
Molecular Weight381.50 g/mol
Exact Mass381.14
IUPAC NameN,N-dibenzyl-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C22H23NO3S/c1-2-26-21-13-15-22(16-14-21)27(24,25)23(17-19-9-5-3-6-10-19)18-20-11-7-4-8-12-20/h3-16H,2,17-18H2,1H3
InChIKeyPHEQGZDICCOLSR-UHFFFAOYSA-N
XLogP4.48
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-ethoxy-N-prop-2-enylbenzenesulfonamide
CID 112788087
N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 100797664
2-[4-[benzyl(propyl)sulfamoyl]phenoxy]acetic acid
CID 113222280
N-benzyl-4-ethoxy-N-(2-methyl-1-sulfanylpropan-2-yl)benzenesulfonamide
CID 22711678
4-ethoxy-N-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 87032847
N-benzyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 125115855
4-ethoxy-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide
CID 8801727
N-benzyl-N-ethylbenzenesulfonamide
CID 668950
2-[4-[[2-[benzyl-(4-ethoxyphenyl)sulfonylamino]acetyl]amino]phenyl]acetamide
CID 100797709
N-benzyl-4-cyano-N-[(4-phenoxyphenyl)methyl]benzenesulfonamide
CID 72736359
4-acetyl-N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]benzenesulfonamide
CID 40750825

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-4-ethoxybenzenesulfonamide?
The IUPAC name of N,N-dibenzyl-4-ethoxybenzenesulfonamide (CID 1338803) is N,N-dibenzyl-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N,N-dibenzyl-4-ethoxybenzenesulfonamide?
The canonical SMILES for N,N-dibenzyl-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of N,N-dibenzyl-4-ethoxybenzenesulfonamide?
The InChIKey is PHEQGZDICCOLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3S/c1-2-26-21-13-15-22(16-14-21)27(24,25)23(17-19-9-5-3-6-10-19)18-20-11-7-4-8-12-20/h3-16H,2,17-18H2,1H3.
What are the key properties of N,N-dibenzyl-4-ethoxybenzenesulfonamide?
N,N-dibenzyl-4-ethoxybenzenesulfonamide has a molecular weight of 381.50 g/mol, XLogP of 4.48, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 1338803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).