2-amino-4-[(2-cyclopropyl-2-hydroxyethyl)amino]benzenesulfonamide

C11H17N3O3S — CID 79467427

IUPAC2-amino-4-[(2-cyclopropyl-2-hydroxyethyl)amino]benzenesulfonamide
SMILESNc1cc(NCC(O)C2CC2)ccc1S(N)(=O)=O
InChIInChI=1S/C11H17N3O3S/c12-9-5-8(3-4-11(9)18(13,16)17)14-6-10(15)7-1-2-7/h3-5,7,10,14-15H,1-2,6,12H2,(H2,13,16,17)
InChIKeyYEYDLCWPJFNSAA-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.10
Rot. Bonds5

About 2-amino-4-[(2-cyclopropyl-2-hydroxyethyl)amino]benzenesulfonamide

2-amino-4-[(2-cyclopropyl-2-hydroxyethyl)amino]benzenesulfonamide (PubChem CID 79467427) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-amino-4-[(2-cyclopropyl-2-hydroxyethyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-[(2-cyclopropyl-2-hydroxyethyl)amino]benzenesulfonamide
PubChem CID79467427
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name2-amino-4-[(2-cyclopropyl-2-hydroxyethyl)amino]benzenesulfonamide
SMILESNc1cc(NCC(O)C2CC2)ccc1S(N)(=O)=O
InChIInChI=1S/C11H17N3O3S/c12-9-5-8(3-4-11(9)18(13,16)17)14-6-10(15)7-1-2-7/h3-5,7,10,14-15H,1-2,6,12H2,(H2,13,16,17)
InChIKeyYEYDLCWPJFNSAA-UHFFFAOYSA-N
XLogP0.10
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
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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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(2-cyclopropyl-2-hydroxyethyl)amino]benzenesulfonamide?
The IUPAC name of 2-amino-4-[(2-cyclopropyl-2-hydroxyethyl)amino]benzenesulfonamide (CID 79467427) is 2-amino-4-[(2-cyclopropyl-2-hydroxyethyl)amino]benzenesulfonamide.
What is the SMILES notation for 2-amino-4-[(2-cyclopropyl-2-hydroxyethyl)amino]benzenesulfonamide?
The canonical SMILES for 2-amino-4-[(2-cyclopropyl-2-hydroxyethyl)amino]benzenesulfonamide is Nc1cc(NCC(O)C2CC2)ccc1S(N)(=O)=O.
What is the InChIKey of 2-amino-4-[(2-cyclopropyl-2-hydroxyethyl)amino]benzenesulfonamide?
The InChIKey is YEYDLCWPJFNSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c12-9-5-8(3-4-11(9)18(13,16)17)14-6-10(15)7-1-2-7/h3-5,7,10,14-15H,1-2,6,12H2,(H2,13,16,17).
What are the key properties of 2-amino-4-[(2-cyclopropyl-2-hydroxyethyl)amino]benzenesulfonamide?
2-amino-4-[(2-cyclopropyl-2-hydroxyethyl)amino]benzenesulfonamide has a molecular weight of 271.34 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 2-amino-4-[(2-cyclopropyl-2-hydroxyethyl)amino]benzenesulfonamide is sourced from PubChem (CID 79467427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).