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

C14H17N3O3S — CID 60986703

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

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

3-amino-5-[(2-hydroxy-2-phenylethyl)amino]benzenesulfonamide (PubChem CID 60986703) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 3-amino-5-[(2-hydroxy-2-phenylethyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-[(2-hydroxy-2-phenylethyl)amino]benzenesulfonamide
PubChem CID60986703
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name3-amino-5-[(2-hydroxy-2-phenylethyl)amino]benzenesulfonamide
SMILESNc1cc(NCC(O)c2ccccc2)cc(S(N)(=O)=O)c1
InChIInChI=1S/C14H17N3O3S/c15-11-6-12(8-13(7-11)21(16,19)20)17-9-14(18)10-4-2-1-3-5-10/h1-8,14,17-18H,9,15H2,(H2,16,19,20)
InChIKeyLKAUJNROJZAWIP-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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Related Compounds

3-amino-5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]benzenesulfonamide
CID 106434544
3-amino-5-(2-hydroxybutylamino)benzenesulfonamide
CID 113491915
3-amino-5-[(2-hydroxy-1-phenylethyl)amino]benzenesulfonamide
CID 63182440
(1R)-2-(3-aminoanilino)-1-phenylethanol;hydrochloride
CID 175066549
3-amino-5-(2,3-dimethylbutylamino)benzenesulfonamide
CID 64568413
3-amino-5-(1-phenylpropan-2-ylamino)benzenesulfonamide
CID 63011085
4-[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]pyrimidin-4-yl]benzenesulfonamide
CID 68992001
3-amino-5-[[1-(hydroxymethyl)cyclopropyl]methylamino]benzenesulfonamide
CID 113313131
2-(3-amino-5-sulfamoylanilino)ethylurea
CID 83115831
2-(4-aminoanilino)-1-(4-phenylphenyl)ethanol
CID 155758987
4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]butan-2-yl]benzenesulfonamide
CID 70536865
3-amino-5-[(2-hydroxy-2,4-dimethylpentyl)amino]benzenesulfonamide
CID 66178938

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(2-hydroxy-2-phenylethyl)amino]benzenesulfonamide?
The IUPAC name of 3-amino-5-[(2-hydroxy-2-phenylethyl)amino]benzenesulfonamide (CID 60986703) is 3-amino-5-[(2-hydroxy-2-phenylethyl)amino]benzenesulfonamide.
What is the SMILES notation for 3-amino-5-[(2-hydroxy-2-phenylethyl)amino]benzenesulfonamide?
The canonical SMILES for 3-amino-5-[(2-hydroxy-2-phenylethyl)amino]benzenesulfonamide is Nc1cc(NCC(O)c2ccccc2)cc(S(N)(=O)=O)c1.
What is the InChIKey of 3-amino-5-[(2-hydroxy-2-phenylethyl)amino]benzenesulfonamide?
The InChIKey is LKAUJNROJZAWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c15-11-6-12(8-13(7-11)21(16,19)20)17-9-14(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-2-phenylethyl)amino]benzenesulfonamide?
3-amino-5-[(2-hydroxy-2-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-2-phenylethyl)amino]benzenesulfonamide is sourced from PubChem (CID 60986703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).