N-benzyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide

C21H21NO4S — CID 125115855

IUPACN-benzyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C21H21NO4S/c1-26-20-11-7-18(8-12-20)16-22(15-17-5-3-2-4-6-17)27(24,25)21-13-9-19(23)10-14-21/h2-14,23H,15-16H2,1H3
InChIKeyBCLFXRUYHPYQBZ-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.79
Rot. Bonds7

About N-benzyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide

N-benzyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide (PubChem CID 125115855) has the molecular formula C21H21NO4S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-benzyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
PubChem CID125115855
Molecular FormulaC21H21NO4S
Molecular Weight383.47 g/mol
Exact Mass383.12
IUPAC NameN-benzyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C21H21NO4S/c1-26-20-11-7-18(8-12-20)16-22(15-17-5-3-2-4-6-17)27(24,25)21-13-9-19(23)10-14-21/h2-14,23H,15-16H2,1H3
InChIKeyBCLFXRUYHPYQBZ-UHFFFAOYSA-N
XLogP3.79
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetic acid
CID 718840
N-[4-[[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]acetamide
CID 141361158
N-benzyl-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide
CID 1058767
methyl 3-[benzyl-(4-methoxyphenyl)sulfonylamino]propanoate
CID 22907062
4-hydroxy-N-[(4-methoxyphenyl)methyl]-N-propan-2-ylbenzenesulfonamide
CID 125116690
N-benzyl-N-[(2-ethanethioylphenyl)methyl]-4-methoxybenzenesulfonamide
CID 22711767
N,N-dibenzyl-4-ethoxybenzenesulfonamide
CID 1338803
2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 100797664
1-[4-(dibenzylsulfamoyl)phenyl]-3-[(4-methoxybenzoyl)amino]thiourea
CID 23661275
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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of N-benzyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide (CID 125115855) is N-benzyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-benzyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for N-benzyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide is COc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(O)cc2)cc1.
What is the InChIKey of N-benzyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
The InChIKey is BCLFXRUYHPYQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4S/c1-26-20-11-7-18(8-12-20)16-22(15-17-5-3-2-4-6-17)27(24,25)21-13-9-19(23)10-14-21/h2-14,23H,15-16H2,1H3.
What are the key properties of N-benzyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
N-benzyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide has a molecular weight of 383.47 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 125115855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).