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

C10H17N3O3S — CID 79896644

IUPAC5-amino-3-(2-hydroxypropylamino)-2-methylbenzenesulfonamide
SMILESCc1c(NCC(C)O)cc(N)cc1S(N)(=O)=O
InChIInChI=1S/C10H17N3O3S/c1-6(14)5-13-9-3-8(11)4-10(7(9)2)17(12,15)16/h3-4,6,13-14H,5,11H2,1-2H3,(H2,12,15,16)
InChIKeyOMXGIJYYRBBOBS-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.02
Rot. Bonds4

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

5-amino-3-(2-hydroxypropylamino)-2-methylbenzenesulfonamide (PubChem CID 79896644) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 5-amino-3-(2-hydroxypropylamino)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-(2-hydroxypropylamino)-2-methylbenzenesulfonamide
PubChem CID79896644
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name5-amino-3-(2-hydroxypropylamino)-2-methylbenzenesulfonamide
SMILESCc1c(NCC(C)O)cc(N)cc1S(N)(=O)=O
InChIInChI=1S/C10H17N3O3S/c1-6(14)5-13-9-3-8(11)4-10(7(9)2)17(12,15)16/h3-4,6,13-14H,5,11H2,1-2H3,(H2,12,15,16)
InChIKeyOMXGIJYYRBBOBS-UHFFFAOYSA-N
XLogP0.02
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-3-[(3-ethyl-2-hydroxypentyl)amino]-2-methylbenzenesulfonamide
CID 106284357
5-amino-3-(3-ethylpentan-2-ylamino)-2-methylbenzenesulfonamide
CID 79897192
5-amino-2-methyl-3-(2-methylsulfonylethylamino)benzenesulfonamide
CID 79896211
5-amino-3-(2,2-dimethylbutylamino)-2-methylbenzenesulfonamide
CID 103460220
3-(5-amino-2-methyl-3-sulfamoylanilino)-N-methylpropanamide
CID 79896218
5-amino-N-(2-hydroxypropyl)-2,3-dimethylbenzenesulfonamide
CID 43498713
5-amino-3-[(3-hydroxycyclobutyl)methylamino]-2-methylbenzenesulfonamide
CID 79904586
5-amino-3-hydroxy-2-methylbenzenesulfonamide
CID 79904666
5-amino-2-methyl-3-(3-methylpentan-3-ylamino)benzenesulfonamide
CID 106328139
5-amino-3-(3-methoxypropylamino)-2-methylbenzenesulfonamide
CID 79896730
5-amino-2-(2-hydroxypropylamino)-N-methylbenzenesulfonamide
CID 103286731
3-(5-amino-2-methyl-3-sulfamoylanilino)-N-propylpropanamide
CID 79900685

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(2-hydroxypropylamino)-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-3-(2-hydroxypropylamino)-2-methylbenzenesulfonamide (CID 79896644) is 5-amino-3-(2-hydroxypropylamino)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-3-(2-hydroxypropylamino)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-3-(2-hydroxypropylamino)-2-methylbenzenesulfonamide is Cc1c(NCC(C)O)cc(N)cc1S(N)(=O)=O.
What is the InChIKey of 5-amino-3-(2-hydroxypropylamino)-2-methylbenzenesulfonamide?
The InChIKey is OMXGIJYYRBBOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-6(14)5-13-9-3-8(11)4-10(7(9)2)17(12,15)16/h3-4,6,13-14H,5,11H2,1-2H3,(H2,12,15,16).
What are the key properties of 5-amino-3-(2-hydroxypropylamino)-2-methylbenzenesulfonamide?
5-amino-3-(2-hydroxypropylamino)-2-methylbenzenesulfonamide has a molecular weight of 259.33 g/mol, XLogP of 0.02, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(2-hydroxypropylamino)-2-methylbenzenesulfonamide is sourced from PubChem (CID 79896644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).