2-[(5-amino-2-hydroxyphenyl)methylamino]-N-methylbenzenesulfonamide

C14H17N3O3S — CID 60874920

IUPAC2-[(5-amino-2-hydroxyphenyl)methylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1NCc1cc(N)ccc1O
InChIInChI=1S/C14H17N3O3S/c1-16-21(19,20)14-5-3-2-4-12(14)17-9-10-8-11(15)6-7-13(10)18/h2-8,16-18H,9,15H2,1H3
InChIKeyIVEHOHWJWODRCE-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.49
Rot. Bonds5

About 2-[(5-amino-2-hydroxyphenyl)methylamino]-N-methylbenzenesulfonamide

2-[(5-amino-2-hydroxyphenyl)methylamino]-N-methylbenzenesulfonamide (PubChem CID 60874920) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-[(5-amino-2-hydroxyphenyl)methylamino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(5-amino-2-hydroxyphenyl)methylamino]-N-methylbenzenesulfonamide
PubChem CID60874920
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name2-[(5-amino-2-hydroxyphenyl)methylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1NCc1cc(N)ccc1O
InChIInChI=1S/C14H17N3O3S/c1-16-21(19,20)14-5-3-2-4-12(14)17-9-10-8-11(15)6-7-13(10)18/h2-8,16-18H,9,15H2,1H3
InChIKeyIVEHOHWJWODRCE-UHFFFAOYSA-N
XLogP1.49
TPSA104.45 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 ≤ 51.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-hydroxyphenyl)methylamino]-N-methylbenzenesulfonamide?
The IUPAC name of 2-[(5-amino-2-hydroxyphenyl)methylamino]-N-methylbenzenesulfonamide (CID 60874920) is 2-[(5-amino-2-hydroxyphenyl)methylamino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-[(5-amino-2-hydroxyphenyl)methylamino]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-[(5-amino-2-hydroxyphenyl)methylamino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccccc1NCc1cc(N)ccc1O.
What is the InChIKey of 2-[(5-amino-2-hydroxyphenyl)methylamino]-N-methylbenzenesulfonamide?
The InChIKey is IVEHOHWJWODRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-16-21(19,20)14-5-3-2-4-12(14)17-9-10-8-11(15)6-7-13(10)18/h2-8,16-18H,9,15H2,1H3.
What are the key properties of 2-[(5-amino-2-hydroxyphenyl)methylamino]-N-methylbenzenesulfonamide?
2-[(5-amino-2-hydroxyphenyl)methylamino]-N-methylbenzenesulfonamide has a molecular weight of 307.38 g/mol, XLogP of 1.49, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2-hydroxyphenyl)methylamino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 60874920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).