4-amino-3-(3-hydroxypyrrolidin-1-yl)benzenesulfonamide

C10H15N3O3S — CID 82898726

IUPAC4-amino-3-(3-hydroxypyrrolidin-1-yl)benzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)cc1N1CCC(O)C1
InChIInChI=1S/C10H15N3O3S/c11-9-2-1-8(17(12,15)16)5-10(9)13-4-3-7(14)6-13/h1-2,5,7,14H,3-4,6,11H2,(H2,12,15,16)
InChIKeyRJGGVGWMTOETKW-UHFFFAOYSA-N
MW257.31 g/mol
LogP-0.51
Rot. Bonds2

About 4-amino-3-(3-hydroxypyrrolidin-1-yl)benzenesulfonamide

4-amino-3-(3-hydroxypyrrolidin-1-yl)benzenesulfonamide (PubChem CID 82898726) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 4-amino-3-(3-hydroxypyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(3-hydroxypyrrolidin-1-yl)benzenesulfonamide
PubChem CID82898726
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name4-amino-3-(3-hydroxypyrrolidin-1-yl)benzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)cc1N1CCC(O)C1
InChIInChI=1S/C10H15N3O3S/c11-9-2-1-8(17(12,15)16)5-10(9)13-4-3-7(14)6-13/h1-2,5,7,14H,3-4,6,11H2,(H2,12,15,16)
InChIKeyRJGGVGWMTOETKW-UHFFFAOYSA-N
XLogP-0.51
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3-hydroxypyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of 4-amino-3-(3-hydroxypyrrolidin-1-yl)benzenesulfonamide (CID 82898726) is 4-amino-3-(3-hydroxypyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-(3-hydroxypyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-3-(3-hydroxypyrrolidin-1-yl)benzenesulfonamide is Nc1ccc(S(N)(=O)=O)cc1N1CCC(O)C1.
What is the InChIKey of 4-amino-3-(3-hydroxypyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is RJGGVGWMTOETKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c11-9-2-1-8(17(12,15)16)5-10(9)13-4-3-7(14)6-13/h1-2,5,7,14H,3-4,6,11H2,(H2,12,15,16).
What are the key properties of 4-amino-3-(3-hydroxypyrrolidin-1-yl)benzenesulfonamide?
4-amino-3-(3-hydroxypyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 257.31 g/mol, XLogP of -0.51, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3-hydroxypyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 82898726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).