4-[[4-(aminomethyl)phenyl]methyl-methylamino]benzenesulfonamide

C15H19N3O2S — CID 60921703

IUPAC4-[[4-(aminomethyl)phenyl]methyl-methylamino]benzenesulfonamide
SMILESCN(Cc1ccc(CN)cc1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H19N3O2S/c1-18(11-13-4-2-12(10-16)3-5-13)14-6-8-15(9-7-14)21(17,19)20/h2-9H,10-11,16H2,1H3,(H2,17,19,20)
InChIKeyFCJXIDJBQNHPBY-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.43
Rot. Bonds5

About 4-[[4-(aminomethyl)phenyl]methyl-methylamino]benzenesulfonamide

4-[[4-(aminomethyl)phenyl]methyl-methylamino]benzenesulfonamide (PubChem CID 60921703) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 4-[[4-(aminomethyl)phenyl]methyl-methylamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(aminomethyl)phenyl]methyl-methylamino]benzenesulfonamide
PubChem CID60921703
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name4-[[4-(aminomethyl)phenyl]methyl-methylamino]benzenesulfonamide
SMILESCN(Cc1ccc(CN)cc1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H19N3O2S/c1-18(11-13-4-2-12(10-16)3-5-13)14-6-8-15(9-7-14)21(17,19)20/h2-9H,10-11,16H2,1H3,(H2,17,19,20)
InChIKeyFCJXIDJBQNHPBY-UHFFFAOYSA-N
XLogP1.43
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-4-[[methyl(sulfamoyl)amino]methyl]benzene
CID 114958571
4-(aminomethyl)-N-(2-ethylsulfonylethyl)-N-methylaniline
CID 43807519
4-[4-(aminomethyl)phenoxy]benzenesulfonamide
CID 106485731
4-(aminomethyl)-N-(4-ethylsulfonylphenyl)-N-methylaniline
CID 62971157
4-[(4-aminophenyl)methyl-ethylamino]benzenesulfonamide
CID 60875699
4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methylaniline
CID 61413469
4-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylaniline
CID 61416417
1-[4-[benzyl(methyl)amino]phenyl]-3-[1-(4-sulfamoylphenyl)ethyl]urea
CID 60543342
N-[[4-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 60923004
3-N-[[4-(dimethylamino)phenyl]methyl]-3-N-methylbenzene-1,3-disulfonamide
CID 30288352
N-[[4-(aminomethyl)phenyl]methyl]-3-bromo-N-methylaniline
CID 115213189
N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-2-methylsulfonylethanamine
CID 54939511

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(aminomethyl)phenyl]methyl-methylamino]benzenesulfonamide?
The IUPAC name of 4-[[4-(aminomethyl)phenyl]methyl-methylamino]benzenesulfonamide (CID 60921703) is 4-[[4-(aminomethyl)phenyl]methyl-methylamino]benzenesulfonamide.
What is the SMILES notation for 4-[[4-(aminomethyl)phenyl]methyl-methylamino]benzenesulfonamide?
The canonical SMILES for 4-[[4-(aminomethyl)phenyl]methyl-methylamino]benzenesulfonamide is CN(Cc1ccc(CN)cc1)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[[4-(aminomethyl)phenyl]methyl-methylamino]benzenesulfonamide?
The InChIKey is FCJXIDJBQNHPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-18(11-13-4-2-12(10-16)3-5-13)14-6-8-15(9-7-14)21(17,19)20/h2-9H,10-11,16H2,1H3,(H2,17,19,20).
What are the key properties of 4-[[4-(aminomethyl)phenyl]methyl-methylamino]benzenesulfonamide?
4-[[4-(aminomethyl)phenyl]methyl-methylamino]benzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(aminomethyl)phenyl]methyl-methylamino]benzenesulfonamide is sourced from PubChem (CID 60921703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).