N,N-dibenzyl-4-methoxybenzenesulfonamide

C21H21NO3S — CID 1005048

IUPACN,N-dibenzyl-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C21H21NO3S/c1-25-20-12-14-21(15-13-20)26(23,24)22(16-18-8-4-2-5-9-18)17-19-10-6-3-7-11-19/h2-15H,16-17H2,1H3
InChIKeyWPGFHSNNWJXXTB-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.09
Rot. Bonds7

About N,N-dibenzyl-4-methoxybenzenesulfonamide

N,N-dibenzyl-4-methoxybenzenesulfonamide (PubChem CID 1005048) has the molecular formula C21H21NO3S and a molecular weight of 367.47 g/mol. Its IUPAC name is N,N-dibenzyl-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN,N-dibenzyl-4-methoxybenzenesulfonamide
PubChem CID1005048
Molecular FormulaC21H21NO3S
Molecular Weight367.47 g/mol
Exact Mass367.12
IUPAC NameN,N-dibenzyl-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C21H21NO3S/c1-25-20-12-14-21(15-13-20)26(23,24)22(16-18-8-4-2-5-9-18)17-19-10-6-3-7-11-19/h2-15H,16-17H2,1H3
InChIKeyWPGFHSNNWJXXTB-UHFFFAOYSA-N
XLogP4.09
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 125115855
2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetic acid
CID 718840
N-benzyl-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide
CID 1058767
N,N-dibenzyl-4-ethoxybenzenesulfonamide
CID 1338803
methyl 3-[benzyl-(4-methoxyphenyl)sulfonylamino]propanoate
CID 22907062
N-benzyl-N-[(2-ethanethioylphenyl)methyl]-4-methoxybenzenesulfonamide
CID 22711767
N-benzyl-4-methoxy-N-(2-methyl-4-sulfanylbutyl)benzenesulfonamide
CID 87975058
N-[4-[[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]acetamide
CID 141361158
N-(furan-2-ylmethyl)-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 3696608
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 141361157
N-benzyl-N-ethylbenzenesulfonamide
CID 668950
1-N,4-N-dibenzyl-4-N-ethyl-1-N-methylbenzene-1,4-disulfonamide
CID 1167043

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-4-methoxybenzenesulfonamide?
The IUPAC name of N,N-dibenzyl-4-methoxybenzenesulfonamide (CID 1005048) is N,N-dibenzyl-4-methoxybenzenesulfonamide.
What is the SMILES notation for N,N-dibenzyl-4-methoxybenzenesulfonamide?
The canonical SMILES for N,N-dibenzyl-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of N,N-dibenzyl-4-methoxybenzenesulfonamide?
The InChIKey is WPGFHSNNWJXXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3S/c1-25-20-12-14-21(15-13-20)26(23,24)22(16-18-8-4-2-5-9-18)17-19-10-6-3-7-11-19/h2-15H,16-17H2,1H3.
What are the key properties of N,N-dibenzyl-4-methoxybenzenesulfonamide?
N,N-dibenzyl-4-methoxybenzenesulfonamide has a molecular weight of 367.47 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-4-methoxybenzenesulfonamide is sourced from PubChem (CID 1005048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).