3-amino-5-(propan-2-ylamino)benzenesulfonamide

C9H15N3O2S — CID 60987493

IUPAC3-amino-5-(propan-2-ylamino)benzenesulfonamide
SMILESCC(C)Nc1cc(N)cc(S(N)(=O)=O)c1
InChIInChI=1S/C9H15N3O2S/c1-6(2)12-8-3-7(10)4-9(5-8)15(11,13)14/h3-6,12H,10H2,1-2H3,(H2,11,13,14)
InChIKeyOGSGBBOETCASDD-UHFFFAOYSA-N
MW229.31 g/mol
LogP0.74
Rot. Bonds3

About 3-amino-5-(propan-2-ylamino)benzenesulfonamide

3-amino-5-(propan-2-ylamino)benzenesulfonamide (PubChem CID 60987493) has the molecular formula C9H15N3O2S and a molecular weight of 229.31 g/mol. Its IUPAC name is 3-amino-5-(propan-2-ylamino)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-(propan-2-ylamino)benzenesulfonamide
PubChem CID60987493
Molecular FormulaC9H15N3O2S
Molecular Weight229.31 g/mol
Exact Mass229.09
IUPAC Name3-amino-5-(propan-2-ylamino)benzenesulfonamide
SMILESCC(C)Nc1cc(N)cc(S(N)(=O)=O)c1
InChIInChI=1S/C9H15N3O2S/c1-6(2)12-8-3-7(10)4-9(5-8)15(11,13)14/h3-6,12H,10H2,1-2H3,(H2,11,13,14)
InChIKeyOGSGBBOETCASDD-UHFFFAOYSA-N
XLogP0.74
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 50.74
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-amino-5-(3-methylbutan-2-ylamino)benzenesulfonamide
CID 54887840
3-amino-5-(6-methylheptan-2-ylamino)benzenesulfonamide
CID 61469316
3-amino-5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzenesulfonamide
CID 61476143
3-amino-5-(1-phenylpropan-2-ylamino)benzenesulfonamide
CID 63011085
3-amino-5-(2,3-dimethylbutylamino)benzenesulfonamide
CID 64568413
3-amino-5-(1-pyridin-2-ylethylamino)benzenesulfonamide
CID 60986935
3-amino-5-(1-thiophen-3-ylethylamino)benzenesulfonamide
CID 55122010
3-amino-5-[1-(1H-pyrazol-4-yl)ethylamino]benzenesulfonamide
CID 106217125
3-amino-5-(1-cyclopropylbutan-2-ylamino)benzenesulfonamide
CID 63995222
3-amino-5-[(2-hydroxy-1-phenylethyl)amino]benzenesulfonamide
CID 63182440
3-amino-5-[(2-hydroxy-2,4-dimethylpentyl)amino]benzenesulfonamide
CID 66178938
3-amino-5-(2-hydroxybutylamino)benzenesulfonamide
CID 113491915

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(propan-2-ylamino)benzenesulfonamide?
The IUPAC name of 3-amino-5-(propan-2-ylamino)benzenesulfonamide (CID 60987493) is 3-amino-5-(propan-2-ylamino)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-(propan-2-ylamino)benzenesulfonamide?
The canonical SMILES for 3-amino-5-(propan-2-ylamino)benzenesulfonamide is CC(C)Nc1cc(N)cc(S(N)(=O)=O)c1.
What is the InChIKey of 3-amino-5-(propan-2-ylamino)benzenesulfonamide?
The InChIKey is OGSGBBOETCASDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-6(2)12-8-3-7(10)4-9(5-8)15(11,13)14/h3-6,12H,10H2,1-2H3,(H2,11,13,14).
What are the key properties of 3-amino-5-(propan-2-ylamino)benzenesulfonamide?
3-amino-5-(propan-2-ylamino)benzenesulfonamide has a molecular weight of 229.31 g/mol, XLogP of 0.74, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(propan-2-ylamino)benzenesulfonamide is sourced from PubChem (CID 60987493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).