5-amino-2-(4-hydroxybutan-2-ylamino)benzenesulfonamide

C10H17N3O3S — CID 83177707

IUPAC5-amino-2-(4-hydroxybutan-2-ylamino)benzenesulfonamide
SMILESCC(CCO)Nc1ccc(N)cc1S(N)(=O)=O
InChIInChI=1S/C10H17N3O3S/c1-7(4-5-14)13-9-3-2-8(11)6-10(9)17(12,15)16/h2-3,6-7,13-14H,4-5,11H2,1H3,(H2,12,15,16)
InChIKeyTUEQOAPBKVUDAL-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.10
Rot. Bonds5

About 5-amino-2-(4-hydroxybutan-2-ylamino)benzenesulfonamide

5-amino-2-(4-hydroxybutan-2-ylamino)benzenesulfonamide (PubChem CID 83177707) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 5-amino-2-(4-hydroxybutan-2-ylamino)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-(4-hydroxybutan-2-ylamino)benzenesulfonamide
PubChem CID83177707
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name5-amino-2-(4-hydroxybutan-2-ylamino)benzenesulfonamide
SMILESCC(CCO)Nc1ccc(N)cc1S(N)(=O)=O
InChIInChI=1S/C10H17N3O3S/c1-7(4-5-14)13-9-3-2-8(11)6-10(9)17(12,15)16/h2-3,6-7,13-14H,4-5,11H2,1H3,(H2,12,15,16)
InChIKeyTUEQOAPBKVUDAL-UHFFFAOYSA-N
XLogP0.10
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.10
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-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]benzenesulfonamide
CID 106348379
5-amino-2-(1-methylsulfanylpropan-2-ylamino)benzenesulfonamide
CID 113472684
2-(4-hydroxybutan-2-ylamino)benzenesulfonamide
CID 83188457
5-amino-2-chloro-N-(4-hydroxybutan-2-yl)benzenesulfonamide
CID 83176400
5-amino-2-(7-methyloctylamino)benzenesulfonamide
CID 107814721
4-amino-N-(4-hydroxybutan-2-yl)-2-methylbenzenesulfonamide
CID 83177341
5-amino-2-(2-ethylhexylamino)benzenesulfonamide
CID 107819806
5-amino-2-(2,2-dimethylhydrazinyl)benzenesulfonamide
CID 83013156
3-(2-amino-4-iodoanilino)butan-1-ol
CID 83177225
2-[5-amino-2-(1-phenylethylamino)phenyl]sulfonylethanol
CID 70408457
4-amino-3-(5-hydroxypentan-2-ylamino)benzenesulfonamide
CID 82898873
4-(1-methoxypropan-2-ylamino)-3-sulfamoylbenzoic acid
CID 132649855

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-hydroxybutan-2-ylamino)benzenesulfonamide?
The IUPAC name of 5-amino-2-(4-hydroxybutan-2-ylamino)benzenesulfonamide (CID 83177707) is 5-amino-2-(4-hydroxybutan-2-ylamino)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-(4-hydroxybutan-2-ylamino)benzenesulfonamide?
The canonical SMILES for 5-amino-2-(4-hydroxybutan-2-ylamino)benzenesulfonamide is CC(CCO)Nc1ccc(N)cc1S(N)(=O)=O.
What is the InChIKey of 5-amino-2-(4-hydroxybutan-2-ylamino)benzenesulfonamide?
The InChIKey is TUEQOAPBKVUDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-7(4-5-14)13-9-3-2-8(11)6-10(9)17(12,15)16/h2-3,6-7,13-14H,4-5,11H2,1H3,(H2,12,15,16).
What are the key properties of 5-amino-2-(4-hydroxybutan-2-ylamino)benzenesulfonamide?
5-amino-2-(4-hydroxybutan-2-ylamino)benzenesulfonamide has a molecular weight of 259.33 g/mol, XLogP of 0.10, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-hydroxybutan-2-ylamino)benzenesulfonamide is sourced from PubChem (CID 83177707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).