3-amino-5-[(2-hydroxy-1-phenylethyl)amino]benzenesulfonamide

C14H17N3O3S — CID 63182440

IUPAC3-amino-5-[(2-hydroxy-1-phenylethyl)amino]benzenesulfonamide
SMILESNc1cc(NC(CO)c2ccccc2)cc(S(N)(=O)=O)c1
InChIInChI=1S/C14H17N3O3S/c15-11-6-12(8-13(7-11)21(16,19)20)17-14(9-18)10-4-2-1-3-5-10/h1-8,14,17-18H,9,15H2,(H2,16,19,20)
InChIKeyLCVWMTXSQXYMRS-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.06
Rot. Bonds5

About 3-amino-5-[(2-hydroxy-1-phenylethyl)amino]benzenesulfonamide

3-amino-5-[(2-hydroxy-1-phenylethyl)amino]benzenesulfonamide (PubChem CID 63182440) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 3-amino-5-[(2-hydroxy-1-phenylethyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-[(2-hydroxy-1-phenylethyl)amino]benzenesulfonamide
PubChem CID63182440
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name3-amino-5-[(2-hydroxy-1-phenylethyl)amino]benzenesulfonamide
SMILESNc1cc(NC(CO)c2ccccc2)cc(S(N)(=O)=O)c1
InChIInChI=1S/C14H17N3O3S/c15-11-6-12(8-13(7-11)21(16,19)20)17-14(9-18)10-4-2-1-3-5-10/h1-8,14,17-18H,9,15H2,(H2,16,19,20)
InChIKeyLCVWMTXSQXYMRS-UHFFFAOYSA-N
XLogP1.06
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.06
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 3-amino-5-[(2-hydroxy-1-phenylethyl)amino]benzenesulfonamide?
The IUPAC name of 3-amino-5-[(2-hydroxy-1-phenylethyl)amino]benzenesulfonamide (CID 63182440) is 3-amino-5-[(2-hydroxy-1-phenylethyl)amino]benzenesulfonamide.
What is the SMILES notation for 3-amino-5-[(2-hydroxy-1-phenylethyl)amino]benzenesulfonamide?
The canonical SMILES for 3-amino-5-[(2-hydroxy-1-phenylethyl)amino]benzenesulfonamide is Nc1cc(NC(CO)c2ccccc2)cc(S(N)(=O)=O)c1.
What is the InChIKey of 3-amino-5-[(2-hydroxy-1-phenylethyl)amino]benzenesulfonamide?
The InChIKey is LCVWMTXSQXYMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c15-11-6-12(8-13(7-11)21(16,19)20)17-14(9-18)10-4-2-1-3-5-10/h1-8,14,17-18H,9,15H2,(H2,16,19,20).
What are the key properties of 3-amino-5-[(2-hydroxy-1-phenylethyl)amino]benzenesulfonamide?
3-amino-5-[(2-hydroxy-1-phenylethyl)amino]benzenesulfonamide has a molecular weight of 307.38 g/mol, XLogP of 1.06, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(2-hydroxy-1-phenylethyl)amino]benzenesulfonamide is sourced from PubChem (CID 63182440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).