3-amino-N-(3-hydroxyphenyl)-4-methoxybenzenesulfonamide

C13H14N2O4S — CID 61168280

IUPAC3-amino-N-(3-hydroxyphenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(O)c2)cc1N
InChIInChI=1S/C13H14N2O4S/c1-19-13-6-5-11(8-12(13)14)20(17,18)15-9-3-2-4-10(16)7-9/h2-8,15-16H,14H2,1H3
InChIKeySPVXESKNFYZJAT-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.78
Rot. Bonds4

About 3-amino-N-(3-hydroxyphenyl)-4-methoxybenzenesulfonamide

3-amino-N-(3-hydroxyphenyl)-4-methoxybenzenesulfonamide (PubChem CID 61168280) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is 3-amino-N-(3-hydroxyphenyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(3-hydroxyphenyl)-4-methoxybenzenesulfonamide
PubChem CID61168280
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Name3-amino-N-(3-hydroxyphenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(O)c2)cc1N
InChIInChI=1S/C13H14N2O4S/c1-19-13-6-5-11(8-12(13)14)20(17,18)15-9-3-2-4-10(16)7-9/h2-8,15-16H,14H2,1H3
InChIKeySPVXESKNFYZJAT-UHFFFAOYSA-N
XLogP1.78
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(3-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 61168279
3-amino-4-methoxy-N-(3-nitrophenyl)benzenesulfonamide
CID 22759589
3-amino-4-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide
CID 61166904
3-amino-4-methoxy-N-pyridin-3-ylbenzenesulfonamide
CID 29275645
N-(3-aminophenyl)-3,4-dimethoxybenzenesulfonamide
CID 17217527
3-amino-N-(3-fluoro-4-methylphenyl)-4-methoxybenzenesulfonamide
CID 28536732
3-[(4-amino-3-methoxyphenyl)sulfonylamino]benzenesulfonic acid
CID 54467936
3-amino-4-methoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 28528828
3-amino-N-(4-chloro-3-methoxyphenyl)-4-hydroxybenzenesulfonamide
CID 107620728
3-amino-N-(2-bromo-6-fluorophenyl)-4-methoxybenzenesulfonamide
CID 107596407
3-amino-N-(4-fluoro-3-methoxyphenyl)-4-hydroxybenzenesulfonamide
CID 114837025
N-(3-amino-4-methoxyphenyl)-4-bromobenzenesulfonamide
CID 43604638

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-hydroxyphenyl)-4-methoxybenzenesulfonamide?
The IUPAC name of 3-amino-N-(3-hydroxyphenyl)-4-methoxybenzenesulfonamide (CID 61168280) is 3-amino-N-(3-hydroxyphenyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(3-hydroxyphenyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-amino-N-(3-hydroxyphenyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc(O)c2)cc1N.
What is the InChIKey of 3-amino-N-(3-hydroxyphenyl)-4-methoxybenzenesulfonamide?
The InChIKey is SPVXESKNFYZJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S/c1-19-13-6-5-11(8-12(13)14)20(17,18)15-9-3-2-4-10(16)7-9/h2-8,15-16H,14H2,1H3.
What are the key properties of 3-amino-N-(3-hydroxyphenyl)-4-methoxybenzenesulfonamide?
3-amino-N-(3-hydroxyphenyl)-4-methoxybenzenesulfonamide has a molecular weight of 294.33 g/mol, XLogP of 1.78, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-hydroxyphenyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 61168280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).