N-benzyl-N-(2-phenylmethoxyphenyl)benzenesulfonamide

C26H23NO3S — CID 91359794

IUPACN-benzyl-N-(2-phenylmethoxyphenyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1ccccc1)c1ccccc1OCc1ccccc1
InChIInChI=1S/C26H23NO3S/c28-31(29,24-16-8-3-9-17-24)27(20-22-12-4-1-5-13-22)25-18-10-11-19-26(25)30-21-23-14-6-2-7-15-23/h1-19H,20-21H2
InChIKeyRBOUGRBLBHSSGF-UHFFFAOYSA-N
MW429.54 g/mol
LogP5.66
Rot. Bonds8

About N-benzyl-N-(2-phenylmethoxyphenyl)benzenesulfonamide

N-benzyl-N-(2-phenylmethoxyphenyl)benzenesulfonamide (PubChem CID 91359794) has the molecular formula C26H23NO3S and a molecular weight of 429.54 g/mol. Its IUPAC name is N-benzyl-N-(2-phenylmethoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-(2-phenylmethoxyphenyl)benzenesulfonamide
PubChem CID91359794
Molecular FormulaC26H23NO3S
Molecular Weight429.54 g/mol
Exact Mass429.14
IUPAC NameN-benzyl-N-(2-phenylmethoxyphenyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1ccccc1)c1ccccc1OCc1ccccc1
InChIInChI=1S/C26H23NO3S/c28-31(29,24-16-8-3-9-17-24)27(20-22-12-4-1-5-13-22)25-18-10-11-19-26(25)30-21-23-14-6-2-7-15-23/h1-19H,20-21H2
InChIKeyRBOUGRBLBHSSGF-UHFFFAOYSA-N
XLogP5.66
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.54
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-benzyl-N-(2-methoxyphenyl)benzenesulfonamide
CID 100591343
N-[2-(1,2-oxazol-3-ylmethoxy)phenyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 29020989
2-[benzenesulfonyl(benzyl)amino]-N-propan-2-ylbenzamide
CID 1203953
2-[benzenesulfonyl(benzyl)amino]-N-tert-butylbenzamide
CID 1129961
N-[4-[4-[benzenesulfonyl(benzyl)amino]-3-methylphenyl]-2-methylphenyl]-N-benzylbenzenesulfonamide
CID 118986827
2-[benzyl-(4-methoxyphenyl)sulfonylamino]benzoate
CID 6968685
N-benzyl-N-(2-methoxyphenyl)methanesulfonamide
CID 6459309
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 126191405
2-[[2-[N-(benzenesulfonyl)-2-ethoxyanilino]acetyl]-benzylamino]-N-butan-2-ylpropanamide
CID 132738793
N-[(4-amino-3-phenylmethoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 68839024
ethyl 2-[[2-[benzenesulfonyl(benzyl)amino]benzoyl]amino]benzoate
CID 1365080
phenyl 3-[benzyl-(2-methoxyphenyl)sulfamoyl]benzoate
CID 2668410

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-phenylmethoxyphenyl)benzenesulfonamide?
The IUPAC name of N-benzyl-N-(2-phenylmethoxyphenyl)benzenesulfonamide (CID 91359794) is N-benzyl-N-(2-phenylmethoxyphenyl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-N-(2-phenylmethoxyphenyl)benzenesulfonamide?
The canonical SMILES for N-benzyl-N-(2-phenylmethoxyphenyl)benzenesulfonamide is O=S(=O)(c1ccccc1)N(Cc1ccccc1)c1ccccc1OCc1ccccc1.
What is the InChIKey of N-benzyl-N-(2-phenylmethoxyphenyl)benzenesulfonamide?
The InChIKey is RBOUGRBLBHSSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO3S/c28-31(29,24-16-8-3-9-17-24)27(20-22-12-4-1-5-13-22)25-18-10-11-19-26(25)30-21-23-14-6-2-7-15-23/h1-19H,20-21H2.
What are the key properties of N-benzyl-N-(2-phenylmethoxyphenyl)benzenesulfonamide?
N-benzyl-N-(2-phenylmethoxyphenyl)benzenesulfonamide has a molecular weight of 429.54 g/mol, XLogP of 5.66, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-phenylmethoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 91359794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).