3-amino-4-(2-methylpropylsulfamoylamino)phenol

C10H17N3O3S — CID 107697833

IUPAC3-amino-4-(2-methylpropylsulfamoylamino)phenol
SMILESCC(C)CNS(=O)(=O)Nc1ccc(O)cc1N
InChIInChI=1S/C10H17N3O3S/c1-7(2)6-12-17(15,16)13-10-4-3-8(14)5-9(10)11/h3-5,7,12-14H,6,11H2,1-2H3
InChIKeyHLMVIGIMWGIREX-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.88
Rot. Bonds5

About 3-amino-4-(2-methylpropylsulfamoylamino)phenol

3-amino-4-(2-methylpropylsulfamoylamino)phenol (PubChem CID 107697833) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 3-amino-4-(2-methylpropylsulfamoylamino)phenol.

Molecular Properties

Compound Name3-amino-4-(2-methylpropylsulfamoylamino)phenol
PubChem CID107697833
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name3-amino-4-(2-methylpropylsulfamoylamino)phenol
SMILESCC(C)CNS(=O)(=O)Nc1ccc(O)cc1N
InChIInChI=1S/C10H17N3O3S/c1-7(2)6-12-17(15,16)13-10-4-3-8(14)5-9(10)11/h3-5,7,12-14H,6,11H2,1-2H3
InChIKeyHLMVIGIMWGIREX-UHFFFAOYSA-N
XLogP0.88
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-(2-methylpropylsulfamoylamino)benzoic acid
CID 114814174
N-(2-amino-4-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide
CID 107697822
4,6-difluoro-3-N-(2-methylpropylsulfamoyl)benzene-1,3-diamine
CID 114814126
1-[2-(2-methylpropylsulfamoylamino)phenyl]ethanol
CID 114815631
[2-(2-methylpropylsulfamoylamino)phenyl]methanol
CID 114815630
4-(3-aminoprop-1-ynyl)-2-methyl-N-(2-methylpropylsulfamoyl)aniline
CID 114816502
4-(aminomethyl)-2-methoxy-N-(2-methylpropylsulfamoyl)aniline
CID 114813992
5-fluoro-2-(2-methylpropylsulfamoylamino)benzoic acid
CID 114814357
N-(2-amino-4-hydroxyphenyl)-2-methylpropanamide
CID 107697096
2-(2-aminoethoxy)-N-(2-methylpropylsulfamoyl)aniline
CID 114813800
3-N-(2-methylpropylsulfamoyl)benzene-1,3-diamine
CID 114814004
2-(3-aminoprop-1-ynyl)-4-methyl-N-(2-methylpropylsulfamoyl)aniline
CID 114816500

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2-methylpropylsulfamoylamino)phenol?
The IUPAC name of 3-amino-4-(2-methylpropylsulfamoylamino)phenol (CID 107697833) is 3-amino-4-(2-methylpropylsulfamoylamino)phenol.
What is the SMILES notation for 3-amino-4-(2-methylpropylsulfamoylamino)phenol?
The canonical SMILES for 3-amino-4-(2-methylpropylsulfamoylamino)phenol is CC(C)CNS(=O)(=O)Nc1ccc(O)cc1N.
What is the InChIKey of 3-amino-4-(2-methylpropylsulfamoylamino)phenol?
The InChIKey is HLMVIGIMWGIREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-7(2)6-12-17(15,16)13-10-4-3-8(14)5-9(10)11/h3-5,7,12-14H,6,11H2,1-2H3.
What are the key properties of 3-amino-4-(2-methylpropylsulfamoylamino)phenol?
3-amino-4-(2-methylpropylsulfamoylamino)phenol has a molecular weight of 259.33 g/mol, XLogP of 0.88, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2-methylpropylsulfamoylamino)phenol is sourced from PubChem (CID 107697833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).