5-amino-3-(3-methoxypropylamino)-2-methylbenzenesulfonamide

C11H19N3O3S — CID 79896730

IUPAC5-amino-3-(3-methoxypropylamino)-2-methylbenzenesulfonamide
SMILESCOCCCNc1cc(N)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C11H19N3O3S/c1-8-10(14-4-3-5-17-2)6-9(12)7-11(8)18(13,15)16/h6-7,14H,3-5,12H2,1-2H3,(H2,13,15,16)
InChIKeyKWESRMHSCXELJU-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.67
Rot. Bonds6

About 5-amino-3-(3-methoxypropylamino)-2-methylbenzenesulfonamide

5-amino-3-(3-methoxypropylamino)-2-methylbenzenesulfonamide (PubChem CID 79896730) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 5-amino-3-(3-methoxypropylamino)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-(3-methoxypropylamino)-2-methylbenzenesulfonamide
PubChem CID79896730
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name5-amino-3-(3-methoxypropylamino)-2-methylbenzenesulfonamide
SMILESCOCCCNc1cc(N)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C11H19N3O3S/c1-8-10(14-4-3-5-17-2)6-9(12)7-11(8)18(13,15)16/h6-7,14H,3-5,12H2,1-2H3,(H2,13,15,16)
InChIKeyKWESRMHSCXELJU-UHFFFAOYSA-N
XLogP0.67
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-3-(3-ethoxypropylamino)-2-methylbenzenesulfonamide
CID 79897340
5-amino-2-methyl-3-(2-methylsulfonylethylamino)benzenesulfonamide
CID 79896211
5-amino-3-(2-but-3-enoxyethylamino)-2-methylbenzenesulfonamide
CID 106394421
2-amino-3-(3-methoxypropylamino)benzenesulfonamide
CID 112674652
3-(5-amino-2-methyl-3-sulfamoylanilino)-N-methylpropanamide
CID 79896218
5-amino-3-[3-methoxypropyl(methyl)amino]-2-methylbenzenesulfonamide
CID 79895968
5-amino-3-(2,2-dimethylbutylamino)-2-methylbenzenesulfonamide
CID 103460220
5-amino-3-[2-(2-methoxyethoxy)ethoxy]-2-methylbenzenesulfonamide
CID 104559989
5-amino-3-[bis(2-methoxyethyl)amino]-2-methylbenzenesulfonamide
CID 79899801
3-(5-amino-2-methyl-3-sulfamoylanilino)-N-propylpropanamide
CID 79900685
5-amino-3-(2-hydroxypropylamino)-2-methylbenzenesulfonamide
CID 79896644
2-(3-methoxypropylamino)-5-sulfamoylbenzoic acid
CID 43235564

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(3-methoxypropylamino)-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-3-(3-methoxypropylamino)-2-methylbenzenesulfonamide (CID 79896730) is 5-amino-3-(3-methoxypropylamino)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-3-(3-methoxypropylamino)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-3-(3-methoxypropylamino)-2-methylbenzenesulfonamide is COCCCNc1cc(N)cc(S(N)(=O)=O)c1C.
What is the InChIKey of 5-amino-3-(3-methoxypropylamino)-2-methylbenzenesulfonamide?
The InChIKey is KWESRMHSCXELJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-8-10(14-4-3-5-17-2)6-9(12)7-11(8)18(13,15)16/h6-7,14H,3-5,12H2,1-2H3,(H2,13,15,16).
What are the key properties of 5-amino-3-(3-methoxypropylamino)-2-methylbenzenesulfonamide?
5-amino-3-(3-methoxypropylamino)-2-methylbenzenesulfonamide has a molecular weight of 273.36 g/mol, XLogP of 0.67, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(3-methoxypropylamino)-2-methylbenzenesulfonamide is sourced from PubChem (CID 79896730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).