4-[3-(aminomethyl)anilino]-N,N-dimethylbenzenesulfonamide

C15H19N3O2S — CID 63767795

IUPAC4-[3-(aminomethyl)anilino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(Nc2cccc(CN)c2)cc1
InChIInChI=1S/C15H19N3O2S/c1-18(2)21(19,20)15-8-6-13(7-9-15)17-14-5-3-4-12(10-14)11-16/h3-10,17H,11,16H2,1-2H3
InChIKeyOOSPQHJMDULNQQ-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.14
Rot. Bonds5

About 4-[3-(aminomethyl)anilino]-N,N-dimethylbenzenesulfonamide

4-[3-(aminomethyl)anilino]-N,N-dimethylbenzenesulfonamide (PubChem CID 63767795) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 4-[3-(aminomethyl)anilino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[3-(aminomethyl)anilino]-N,N-dimethylbenzenesulfonamide
PubChem CID63767795
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name4-[3-(aminomethyl)anilino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(Nc2cccc(CN)c2)cc1
InChIInChI=1S/C15H19N3O2S/c1-18(2)21(19,20)15-8-6-13(7-9-15)17-14-5-3-4-12(10-14)11-16/h3-10,17H,11,16H2,1-2H3
InChIKeyOOSPQHJMDULNQQ-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

3-(aminomethyl)-N-[3-(aminomethyl)phenyl]aniline
CID 174680323
N-[3-(aminomethyl)phenyl]methanesulfonamide
CID 10495443
4-[(3-hydroxyphenyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 43682539
4-[(3-bromophenyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 43234682
6-[3-(aminomethyl)anilino]pyridine-3-sulfonamide
CID 63767785
3-[3-(aminomethyl)anilino]benzonitrile
CID 117027344
1-(aminomethyl)-3-(diethylsulfamoylamino)benzene
CID 28783219
2-[3-(aminomethyl)anilino]benzenesulfonamide
CID 63767784
methyl 3-[3-(aminomethyl)anilino]benzoate
CID 117027328
4-(ethylamino)-N,N-dimethylbenzenesulfonamide
CID 43415076
3-amino-N,N-dimethyl-4-(3-methylanilino)benzenesulfonamide
CID 43341117
N-[[3-(aminomethyl)phenyl]methyl]-4-ethylsulfonylaniline
CID 60871436

Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)anilino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[3-(aminomethyl)anilino]-N,N-dimethylbenzenesulfonamide (CID 63767795) is 4-[3-(aminomethyl)anilino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[3-(aminomethyl)anilino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[3-(aminomethyl)anilino]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(Nc2cccc(CN)c2)cc1.
What is the InChIKey of 4-[3-(aminomethyl)anilino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is OOSPQHJMDULNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-18(2)21(19,20)15-8-6-13(7-9-15)17-14-5-3-4-12(10-14)11-16/h3-10,17H,11,16H2,1-2H3.
What are the key properties of 4-[3-(aminomethyl)anilino]-N,N-dimethylbenzenesulfonamide?
4-[3-(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 4-[3-(aminomethyl)anilino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 63767795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).