4-amino-3-(5-hydroxypentan-2-ylamino)benzenesulfonamide

C11H19N3O3S — CID 82898873

IUPAC4-amino-3-(5-hydroxypentan-2-ylamino)benzenesulfonamide
SMILESCC(CCCO)Nc1cc(S(N)(=O)=O)ccc1N
InChIInChI=1S/C11H19N3O3S/c1-8(3-2-6-15)14-11-7-9(18(13,16)17)4-5-10(11)12/h4-5,7-8,14-15H,2-3,6,12H2,1H3,(H2,13,16,17)
InChIKeyAWXTYZBUGCDJRS-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.49
Rot. Bonds6

About 4-amino-3-(5-hydroxypentan-2-ylamino)benzenesulfonamide

4-amino-3-(5-hydroxypentan-2-ylamino)benzenesulfonamide (PubChem CID 82898873) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 4-amino-3-(5-hydroxypentan-2-ylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(5-hydroxypentan-2-ylamino)benzenesulfonamide
PubChem CID82898873
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name4-amino-3-(5-hydroxypentan-2-ylamino)benzenesulfonamide
SMILESCC(CCCO)Nc1cc(S(N)(=O)=O)ccc1N
InChIInChI=1S/C11H19N3O3S/c1-8(3-2-6-15)14-11-7-9(18(13,16)17)4-5-10(11)12/h4-5,7-8,14-15H,2-3,6,12H2,1H3,(H2,13,16,17)
InChIKeyAWXTYZBUGCDJRS-UHFFFAOYSA-N
XLogP0.49
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.49
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

4-amino-N-ethyl-3-(5-hydroxypentan-2-ylamino)benzenesulfonamide
CID 82901521
4-amino-3-(4-methylpentan-2-ylamino)benzenesulfonamide
CID 82907687
4-amino-3-(1-ethoxypropan-2-ylamino)benzenesulfonamide
CID 82908006
4-amino-3-(1-cyclopropylpropan-2-ylamino)benzenesulfonamide
CID 82899019
4-amino-N-ethyl-3-(hexan-2-ylamino)benzenesulfonamide
CID 82900349
4-amino-3-(6-hydroxyhexylamino)benzenesulfonamide
CID 107843856
3-(heptan-2-ylamino)-4-methylbenzenesulfonamide
CID 43744136
4-amino-3-(octan-4-ylamino)benzenesulfonamide
CID 106022408
4-amino-3-[1-(furan-2-yl)propan-2-ylamino]benzenesulfonamide
CID 82907696
2-(2-amino-5-sulfamoylanilino)-N-methylpropanamide
CID 82907013
2-(2-amino-5-sulfamoylanilino)-N-ethylpropanamide
CID 82907245
4-amino-3-(1-morpholin-4-ylpropan-2-ylamino)benzenesulfonamide
CID 82900216

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(5-hydroxypentan-2-ylamino)benzenesulfonamide?
The IUPAC name of 4-amino-3-(5-hydroxypentan-2-ylamino)benzenesulfonamide (CID 82898873) is 4-amino-3-(5-hydroxypentan-2-ylamino)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-(5-hydroxypentan-2-ylamino)benzenesulfonamide?
The canonical SMILES for 4-amino-3-(5-hydroxypentan-2-ylamino)benzenesulfonamide is CC(CCCO)Nc1cc(S(N)(=O)=O)ccc1N.
What is the InChIKey of 4-amino-3-(5-hydroxypentan-2-ylamino)benzenesulfonamide?
The InChIKey is AWXTYZBUGCDJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-8(3-2-6-15)14-11-7-9(18(13,16)17)4-5-10(11)12/h4-5,7-8,14-15H,2-3,6,12H2,1H3,(H2,13,16,17).
What are the key properties of 4-amino-3-(5-hydroxypentan-2-ylamino)benzenesulfonamide?
4-amino-3-(5-hydroxypentan-2-ylamino)benzenesulfonamide has a molecular weight of 273.36 g/mol, XLogP of 0.49, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(5-hydroxypentan-2-ylamino)benzenesulfonamide is sourced from PubChem (CID 82898873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).