2-amino-4-(1-methoxypropan-2-ylamino)benzenesulfonamide

C10H17N3O3S — CID 79466776

IUPAC2-amino-4-(1-methoxypropan-2-ylamino)benzenesulfonamide
SMILESCOCC(C)Nc1ccc(S(N)(=O)=O)c(N)c1
InChIInChI=1S/C10H17N3O3S/c1-7(6-16-2)13-8-3-4-10(9(11)5-8)17(12,14)15/h3-5,7,13H,6,11H2,1-2H3,(H2,12,14,15)
InChIKeyIYQKNGNJWSKRRB-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.36
Rot. Bonds5

About 2-amino-4-(1-methoxypropan-2-ylamino)benzenesulfonamide

2-amino-4-(1-methoxypropan-2-ylamino)benzenesulfonamide (PubChem CID 79466776) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-amino-4-(1-methoxypropan-2-ylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-(1-methoxypropan-2-ylamino)benzenesulfonamide
PubChem CID79466776
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name2-amino-4-(1-methoxypropan-2-ylamino)benzenesulfonamide
SMILESCOCC(C)Nc1ccc(S(N)(=O)=O)c(N)c1
InChIInChI=1S/C10H17N3O3S/c1-7(6-16-2)13-8-3-4-10(9(11)5-8)17(12,14)15/h3-5,7,13H,6,11H2,1-2H3,(H2,12,14,15)
InChIKeyIYQKNGNJWSKRRB-UHFFFAOYSA-N
XLogP0.36
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-(2-methoxyethylamino)benzenesulfonamide
CID 79467385
ethyl 2-(3-amino-4-sulfamoylanilino)propanoate
CID 79466894
2-amino-4-(1,3-dihydroxypropan-2-ylamino)benzenesulfonamide
CID 79467002
2-(1-methoxypropan-2-ylamino)benzenesulfonamide
CID 43454220
2-amino-4-(ethylamino)benzenesulfonamide
CID 79466329
2-amino-4-(1-pyridin-4-ylethylamino)benzenesulfonamide
CID 79467494
2-amino-4-[1-(furan-2-yl)ethylamino]benzenesulfonamide
CID 79466885
2-amino-4-(3-methylbutylsulfanyl)benzenesulfonamide
CID 107748086
4-ethylsulfonyl-N-(1-methoxypropan-2-yl)aniline
CID 43453355
2-amino-4-(1-hydroxyethylamino)benzenesulfonic acid
CID 88827678
4-(1-methoxypropan-2-ylamino)-3-sulfamoylbenzoic acid
CID 132649855
2-amino-4-[1-(3-chlorophenyl)ethylamino]benzenesulfonamide
CID 79466950

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(1-methoxypropan-2-ylamino)benzenesulfonamide?
The IUPAC name of 2-amino-4-(1-methoxypropan-2-ylamino)benzenesulfonamide (CID 79466776) is 2-amino-4-(1-methoxypropan-2-ylamino)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-(1-methoxypropan-2-ylamino)benzenesulfonamide?
The canonical SMILES for 2-amino-4-(1-methoxypropan-2-ylamino)benzenesulfonamide is COCC(C)Nc1ccc(S(N)(=O)=O)c(N)c1.
What is the InChIKey of 2-amino-4-(1-methoxypropan-2-ylamino)benzenesulfonamide?
The InChIKey is IYQKNGNJWSKRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-7(6-16-2)13-8-3-4-10(9(11)5-8)17(12,14)15/h3-5,7,13H,6,11H2,1-2H3,(H2,12,14,15).
What are the key properties of 2-amino-4-(1-methoxypropan-2-ylamino)benzenesulfonamide?
2-amino-4-(1-methoxypropan-2-ylamino)benzenesulfonamide has a molecular weight of 259.33 g/mol, XLogP of 0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(1-methoxypropan-2-ylamino)benzenesulfonamide is sourced from PubChem (CID 79466776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).