N-benzyl-4-methoxybenzenesulfonamide

C14H15NO3S — CID 741351

IUPACN-benzyl-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccccc2)cc1
InChIInChI=1S/C14H15NO3S/c1-18-13-7-9-14(10-8-13)19(16,17)15-11-12-5-3-2-4-6-12/h2-10,15H,11H2,1H3
InChIKeyCDTRGFYYGHIFTP-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.17
Rot. Bonds5

About N-benzyl-4-methoxybenzenesulfonamide

N-benzyl-4-methoxybenzenesulfonamide (PubChem CID 741351) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-benzyl-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-methoxybenzenesulfonamide
PubChem CID741351
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC NameN-benzyl-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccccc2)cc1
InChIInChI=1S/C14H15NO3S/c1-18-13-7-9-14(10-8-13)19(16,17)15-11-12-5-3-2-4-6-12/h2-10,15H,11H2,1H3
InChIKeyCDTRGFYYGHIFTP-UHFFFAOYSA-N
XLogP2.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[(4-methoxyphenyl)methyl]benzene-1,4-disulfonamide
CID 26527057
N-[(4-methoxyphenyl)methylsulfamoyl]-1-phenylmethanamine
CID 1475423
N-[(4-methoxyphenyl)methyl]-4-(methylamino)benzenesulfonamide
CID 43332057
4-[4-(benzylsulfamoyl)phenyl]-N-(4-methoxyphenyl)benzamide
CID 46385858
N-[(2-hydroxyphenyl)methyl]-4-methoxybenzenesulfonamide
CID 115753767
N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 3703506
methyl 4-[(4-methoxyphenyl)methylsulfamoyl]benzoate
CID 26527056
N-benzyl-4-(2-methylpropoxy)benzenesulfonamide
CID 826388
4-methoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide
CID 54774003
4-[(4-methoxyphenyl)methylsulfamoyl]benzamide
CID 27186990
1-(4-methoxyphenyl)-N-(phenylsulfonimidoyl)methanamine
CID 175957833
N-(2,2-diphenylethyl)-4-methoxybenzenesulfonamide
CID 25041291

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methoxybenzenesulfonamide?
The IUPAC name of N-benzyl-4-methoxybenzenesulfonamide (CID 741351) is N-benzyl-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-benzyl-4-methoxybenzenesulfonamide?
The canonical SMILES for N-benzyl-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-4-methoxybenzenesulfonamide?
The InChIKey is CDTRGFYYGHIFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-18-13-7-9-14(10-8-13)19(16,17)15-11-12-5-3-2-4-6-12/h2-10,15H,11H2,1H3.
What are the key properties of N-benzyl-4-methoxybenzenesulfonamide?
N-benzyl-4-methoxybenzenesulfonamide has a molecular weight of 277.35 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methoxybenzenesulfonamide is sourced from PubChem (CID 741351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).