5-amino-2-(methylaminomethyl)benzenesulfonamide

C8H13N3O2S — CID 56998580

IUPAC5-amino-2-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(N)cc1S(N)(=O)=O
InChIInChI=1S/C8H13N3O2S/c1-11-5-6-2-3-7(9)4-8(6)14(10,12)13/h2-4,11H,5,9H2,1H3,(H2,10,12,13)
InChIKeyJWGHIFCCONSUIF-UHFFFAOYSA-N
MW215.28 g/mol
LogP-0.36
Rot. Bonds3

About 5-amino-2-(methylaminomethyl)benzenesulfonamide

5-amino-2-(methylaminomethyl)benzenesulfonamide (PubChem CID 56998580) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 5-amino-2-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-(methylaminomethyl)benzenesulfonamide
PubChem CID56998580
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name5-amino-2-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(N)cc1S(N)(=O)=O
InChIInChI=1S/C8H13N3O2S/c1-11-5-6-2-3-7(9)4-8(6)14(10,12)13/h2-4,11H,5,9H2,1H3,(H2,10,12,13)
InChIKeyJWGHIFCCONSUIF-UHFFFAOYSA-N
XLogP-0.36
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-4-(methylaminomethyl)aniline
CID 45078678
5-amino-2-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 142402108
4-methyl-3-(methylaminomethyl)aniline
CID 45078677
3-chloro-4-(methylaminomethyl)benzenesulfonamide
CID 107091359
5-amino-2-[(2-hydroxyethylamino)methyl]benzenesulfonic acid
CID 124926063
5-amino-2-(2,2-dimethylhydrazinyl)benzenesulfonamide
CID 83013156
5-fluoro-2-(propylaminomethyl)benzenesulfonamide
CID 102920511
5-amino-2-hydroxy-N-methylbenzenesulfonamide
CID 75525559
1-N,1-N-dimethyl-2-(methylaminomethyl)benzene-1,4-diamine
CID 141451850
5-amino-2-bromo-N-methylbenzenesulfonamide
CID 65201802
5-amino-2-(7-methyloctylamino)benzenesulfonamide
CID 107814721
5-amino-2-[2-(2-methoxyethoxy)ethoxy]benzenesulfonamide
CID 104560023

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-(methylaminomethyl)benzenesulfonamide (CID 56998580) is 5-amino-2-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-(methylaminomethyl)benzenesulfonamide is CNCc1ccc(N)cc1S(N)(=O)=O.
What is the InChIKey of 5-amino-2-(methylaminomethyl)benzenesulfonamide?
The InChIKey is JWGHIFCCONSUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-11-5-6-2-3-7(9)4-8(6)14(10,12)13/h2-4,11H,5,9H2,1H3,(H2,10,12,13).
What are the key properties of 5-amino-2-(methylaminomethyl)benzenesulfonamide?
5-amino-2-(methylaminomethyl)benzenesulfonamide has a molecular weight of 215.28 g/mol, XLogP of -0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 56998580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).