4-[(benzylamino)methyl]-N-methylbenzenesulfonamide

C15H18N2O2S — CID 139319386

IUPAC4-[(benzylamino)methyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(CNCc2ccccc2)cc1
InChIInChI=1S/C15H18N2O2S/c1-16-20(18,19)15-9-7-14(8-10-15)12-17-11-13-5-3-2-4-6-13/h2-10,16-17H,11-12H2,1H3
InChIKeyYOJMRXYEEUVJMH-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.88
Rot. Bonds6

About 4-[(benzylamino)methyl]-N-methylbenzenesulfonamide

4-[(benzylamino)methyl]-N-methylbenzenesulfonamide (PubChem CID 139319386) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 4-[(benzylamino)methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(benzylamino)methyl]-N-methylbenzenesulfonamide
PubChem CID139319386
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name4-[(benzylamino)methyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(CNCc2ccccc2)cc1
InChIInChI=1S/C15H18N2O2S/c1-16-20(18,19)15-9-7-14(8-10-15)12-17-11-13-5-3-2-4-6-13/h2-10,16-17H,11-12H2,1H3
InChIKeyYOJMRXYEEUVJMH-UHFFFAOYSA-N
XLogP1.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Benzenesulfonamide, N-benzyl-
CID 95236
1,2,3,4-Tetrahydroisoquinoline-7-sulfonamide
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2-Propyl-pentanoic acid 4-sulfamoyl-benzylamide
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N-((4-(Aminosulphonyl)phenyl)methyl)acetamide
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4-[1-(Methylamino)ethyl]benzene-1-sulfonamide
CID 4961836
1-(4-Methylbenzenesulfonyl)piperazine
CID 704295
Pf-04455242
CID 44599828
4-fluoro-N-(4-sulfamoylbenzyl)benzenesulfonamide
CID 788811

Frequently Asked Questions

What is the IUPAC name of 4-[(benzylamino)methyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[(benzylamino)methyl]-N-methylbenzenesulfonamide (CID 139319386) is 4-[(benzylamino)methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[(benzylamino)methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[(benzylamino)methyl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(CNCc2ccccc2)cc1.
What is the InChIKey of 4-[(benzylamino)methyl]-N-methylbenzenesulfonamide?
The InChIKey is YOJMRXYEEUVJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-16-20(18,19)15-9-7-14(8-10-15)12-17-11-13-5-3-2-4-6-13/h2-10,16-17H,11-12H2,1H3.
What are the key properties of 4-[(benzylamino)methyl]-N-methylbenzenesulfonamide?
4-[(benzylamino)methyl]-N-methylbenzenesulfonamide has a molecular weight of 290.39 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(benzylamino)methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 139319386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).