5-amino-N-(4-hydroxyphenyl)-2-methoxy-N-methylbenzenesulfonamide

C14H16N2O4S — CID 107733405

IUPAC5-amino-N-(4-hydroxyphenyl)-2-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(N)cc1S(=O)(=O)N(C)c1ccc(O)cc1
InChIInChI=1S/C14H16N2O4S/c1-16(11-4-6-12(17)7-5-11)21(18,19)14-9-10(15)3-8-13(14)20-2/h3-9,17H,15H2,1-2H3
InChIKeyGGDPHAFMXHIJNT-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.81
Rot. Bonds4

About 5-amino-N-(4-hydroxyphenyl)-2-methoxy-N-methylbenzenesulfonamide

5-amino-N-(4-hydroxyphenyl)-2-methoxy-N-methylbenzenesulfonamide (PubChem CID 107733405) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 5-amino-N-(4-hydroxyphenyl)-2-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(4-hydroxyphenyl)-2-methoxy-N-methylbenzenesulfonamide
PubChem CID107733405
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name5-amino-N-(4-hydroxyphenyl)-2-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(N)cc1S(=O)(=O)N(C)c1ccc(O)cc1
InChIInChI=1S/C14H16N2O4S/c1-16(11-4-6-12(17)7-5-11)21(18,19)14-9-10(15)3-8-13(14)20-2/h3-9,17H,15H2,1-2H3
InChIKeyGGDPHAFMXHIJNT-UHFFFAOYSA-N
XLogP1.81
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(3-hydroxyphenyl)-2-methoxy-N-methylbenzenesulfonamide
CID 107733505
4-amino-2-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 107733356
5-chloro-N-(4-chlorophenyl)-2-methoxy-N-methylbenzenesulfonamide
CID 3517707
N-[4-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]phenyl]-N-methylacetamide
CID 113094905
4-[(5-amino-2-methoxyphenyl)methyl-methylamino]phenol
CID 107733778
5-amino-2-methoxy-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 43587371
2-amino-5-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 107733378
5-amino-N-(2-hydroxyethyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 43577718
3-amino-2,4-difluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 107733368
5-amino-2-bromo-N-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 65206643
5-amino-N-butan-2-yl-N-ethyl-2-methoxybenzenesulfonamide
CID 43274191
5-amino-2-bromo-N-(4-fluorophenyl)-N-methylbenzenesulfonamide
CID 65207218

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-hydroxyphenyl)-2-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(4-hydroxyphenyl)-2-methoxy-N-methylbenzenesulfonamide (CID 107733405) is 5-amino-N-(4-hydroxyphenyl)-2-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(4-hydroxyphenyl)-2-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(4-hydroxyphenyl)-2-methoxy-N-methylbenzenesulfonamide is COc1ccc(N)cc1S(=O)(=O)N(C)c1ccc(O)cc1.
What is the InChIKey of 5-amino-N-(4-hydroxyphenyl)-2-methoxy-N-methylbenzenesulfonamide?
The InChIKey is GGDPHAFMXHIJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-16(11-4-6-12(17)7-5-11)21(18,19)14-9-10(15)3-8-13(14)20-2/h3-9,17H,15H2,1-2H3.
What are the key properties of 5-amino-N-(4-hydroxyphenyl)-2-methoxy-N-methylbenzenesulfonamide?
5-amino-N-(4-hydroxyphenyl)-2-methoxy-N-methylbenzenesulfonamide has a molecular weight of 308.36 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-hydroxyphenyl)-2-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 107733405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).