4-[(2-hydroxy-5-methoxyphenyl)methylamino]benzenesulfonamide

C14H16N2O4S — CID 29045530

IUPAC4-[(2-hydroxy-5-methoxyphenyl)methylamino]benzenesulfonamide
SMILESCOc1ccc(O)c(CNc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C14H16N2O4S/c1-20-12-4-7-14(17)10(8-12)9-16-11-2-5-13(6-3-11)21(15,18)19/h2-8,16-17H,9H2,1H3,(H2,15,18,19)
InChIKeyFOPLPWGBMSZJFH-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.66
Rot. Bonds5

About 4-[(2-hydroxy-5-methoxyphenyl)methylamino]benzenesulfonamide

4-[(2-hydroxy-5-methoxyphenyl)methylamino]benzenesulfonamide (PubChem CID 29045530) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 4-[(2-hydroxy-5-methoxyphenyl)methylamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2-hydroxy-5-methoxyphenyl)methylamino]benzenesulfonamide
PubChem CID29045530
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name4-[(2-hydroxy-5-methoxyphenyl)methylamino]benzenesulfonamide
SMILESCOc1ccc(O)c(CNc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C14H16N2O4S/c1-20-12-4-7-14(17)10(8-12)9-16-11-2-5-13(6-3-11)21(15,18)19/h2-8,16-17H,9H2,1H3,(H2,15,18,19)
InChIKeyFOPLPWGBMSZJFH-UHFFFAOYSA-N
XLogP1.66
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-5-methoxyphenyl)methylamino]benzenesulfonamide?
The IUPAC name of 4-[(2-hydroxy-5-methoxyphenyl)methylamino]benzenesulfonamide (CID 29045530) is 4-[(2-hydroxy-5-methoxyphenyl)methylamino]benzenesulfonamide.
What is the SMILES notation for 4-[(2-hydroxy-5-methoxyphenyl)methylamino]benzenesulfonamide?
The canonical SMILES for 4-[(2-hydroxy-5-methoxyphenyl)methylamino]benzenesulfonamide is COc1ccc(O)c(CNc2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 4-[(2-hydroxy-5-methoxyphenyl)methylamino]benzenesulfonamide?
The InChIKey is FOPLPWGBMSZJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-20-12-4-7-14(17)10(8-12)9-16-11-2-5-13(6-3-11)21(15,18)19/h2-8,16-17H,9H2,1H3,(H2,15,18,19).
What are the key properties of 4-[(2-hydroxy-5-methoxyphenyl)methylamino]benzenesulfonamide?
4-[(2-hydroxy-5-methoxyphenyl)methylamino]benzenesulfonamide has a molecular weight of 308.36 g/mol, XLogP of 1.66, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-5-methoxyphenyl)methylamino]benzenesulfonamide is sourced from PubChem (CID 29045530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).