4-amino-N-benzyl-N-methylbenzenesulfonamide

C14H16N2O2S — CID 832628

IUPAC4-amino-N-benzyl-N-methylbenzenesulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C14H16N2O2S/c1-16(11-12-5-3-2-4-6-12)19(17,18)14-9-7-13(15)8-10-14/h2-10H,11,15H2,1H3
InChIKeyWRHRPSBTFMCMFN-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.09
Rot. Bonds4

About 4-amino-N-benzyl-N-methylbenzenesulfonamide

4-amino-N-benzyl-N-methylbenzenesulfonamide (PubChem CID 832628) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 4-amino-N-benzyl-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-benzyl-N-methylbenzenesulfonamide
PubChem CID832628
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name4-amino-N-benzyl-N-methylbenzenesulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C14H16N2O2S/c1-16(11-12-5-3-2-4-6-12)19(17,18)14-9-7-13(15)8-10-14/h2-10H,11,15H2,1H3
InChIKeyWRHRPSBTFMCMFN-UHFFFAOYSA-N
XLogP2.09
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-benzyl-N-methylbenzenesulfonamide?
The IUPAC name of 4-amino-N-benzyl-N-methylbenzenesulfonamide (CID 832628) is 4-amino-N-benzyl-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-benzyl-N-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-benzyl-N-methylbenzenesulfonamide is CN(Cc1ccccc1)S(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-benzyl-N-methylbenzenesulfonamide?
The InChIKey is WRHRPSBTFMCMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-16(11-12-5-3-2-4-6-12)19(17,18)14-9-7-13(15)8-10-14/h2-10H,11,15H2,1H3.
What are the key properties of 4-amino-N-benzyl-N-methylbenzenesulfonamide?
4-amino-N-benzyl-N-methylbenzenesulfonamide has a molecular weight of 276.36 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-benzyl-N-methylbenzenesulfonamide is sourced from PubChem (CID 832628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).