2-[2-(aminomethyl)anilino]-N,N-dimethylbenzenesulfonamide

C15H19N3O2S — CID 63759564

IUPAC2-[2-(aminomethyl)anilino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1Nc1ccccc1CN
InChIInChI=1S/C15H19N3O2S/c1-18(2)21(19,20)15-10-6-5-9-14(15)17-13-8-4-3-7-12(13)11-16/h3-10,17H,11,16H2,1-2H3
InChIKeyNDZUGZDQTBGIBE-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.14
Rot. Bonds5

About 2-[2-(aminomethyl)anilino]-N,N-dimethylbenzenesulfonamide

2-[2-(aminomethyl)anilino]-N,N-dimethylbenzenesulfonamide (PubChem CID 63759564) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-[2-(aminomethyl)anilino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)anilino]-N,N-dimethylbenzenesulfonamide
PubChem CID63759564
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name2-[2-(aminomethyl)anilino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1Nc1ccccc1CN
InChIInChI=1S/C15H19N3O2S/c1-18(2)21(19,20)15-10-6-5-9-14(15)17-13-8-4-3-7-12(13)11-16/h3-10,17H,11,16H2,1-2H3
InChIKeyNDZUGZDQTBGIBE-UHFFFAOYSA-N
XLogP2.14
TPSA75.43 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 ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)anilino]benzenesulfonamide
CID 63761931
2-(3-aminobutylamino)-N,N-dimethylbenzenesulfonamide
CID 63251442
2-(aminomethyl)-N-(4-ethylsulfonylphenyl)aniline
CID 63759186
2-(cyclopentylamino)-N,N-dimethylbenzenesulfonamide
CID 43383449
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N,N-dimethylbenzenesulfonamide
CID 107849381
1-(aminomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 54947668
N,N-dimethyl-2-[(2-methyl-2-methylsulfonylpropyl)amino]benzenesulfonamide
CID 79562680
2-amino-3-(2-bromoanilino)-N,N-dimethylbenzenesulfonamide
CID 107115684
2-[(2-amino-2-cyclopropylethyl)amino]-N,N-dimethylbenzenesulfonamide
CID 63759663
N,N-dimethyl-2-(octylamino)benzenesulfonamide
CID 115568876
2-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 43454463
2-(cycloheptylamino)-N,N-dimethylbenzenesulfonamide
CID 43454494

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)anilino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-[2-(aminomethyl)anilino]-N,N-dimethylbenzenesulfonamide (CID 63759564) is 2-[2-(aminomethyl)anilino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-[2-(aminomethyl)anilino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-[2-(aminomethyl)anilino]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccccc1Nc1ccccc1CN.
What is the InChIKey of 2-[2-(aminomethyl)anilino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is NDZUGZDQTBGIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-18(2)21(19,20)15-10-6-5-9-14(15)17-13-8-4-3-7-12(13)11-16/h3-10,17H,11,16H2,1-2H3.
What are the key properties of 2-[2-(aminomethyl)anilino]-N,N-dimethylbenzenesulfonamide?
2-[2-(aminomethyl)anilino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)anilino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 63759564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).