5-amino-2-ethyl-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide

C15H18N2O3S — CID 107699520

IUPAC5-amino-2-ethyl-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
SMILESCCc1ccc(N)cc1S(=O)(=O)Nc1ccc(C)c(O)c1
InChIInChI=1S/C15H18N2O3S/c1-3-11-5-6-12(16)8-15(11)21(19,20)17-13-7-4-10(2)14(18)9-13/h4-9,17-18H,3,16H2,1-2H3
InChIKeyFYFONFYPAGPKBO-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.65
Rot. Bonds4

About 5-amino-2-ethyl-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide

5-amino-2-ethyl-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide (PubChem CID 107699520) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 5-amino-2-ethyl-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-ethyl-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
PubChem CID107699520
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name5-amino-2-ethyl-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
SMILESCCc1ccc(N)cc1S(=O)(=O)Nc1ccc(C)c(O)c1
InChIInChI=1S/C15H18N2O3S/c1-3-11-5-6-12(16)8-15(11)21(19,20)17-13-7-4-10(2)14(18)9-13/h4-9,17-18H,3,16H2,1-2H3
InChIKeyFYFONFYPAGPKBO-UHFFFAOYSA-N
XLogP2.65
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 107699512
5-amino-2,3-difluoro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 107699455
5-amino-N-(4-bromo-3-chlorophenyl)-2-ethylbenzenesulfonamide
CID 107618486
5-amino-N-(4-ethylphenyl)-2-methylbenzenesulfonamide
CID 29285974
5-amino-N-(4-aminophenyl)-2-methylbenzenesulfonamide
CID 57346246
5-amino-N-(4,6-dimethylpyrimidin-2-yl)-2-ethylbenzenesulfonamide
CID 43256532
N-(3-hydroxy-4-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 64794059
3-amino-4-hydroxy-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 107699434
N-(3-amino-4-ethylphenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43551076
5-amino-N-(4-ethoxyphenyl)-2-methylbenzenesulfonamide
CID 3310244
2,5-dichloro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 7303996
4-[(5-amino-2-methylphenyl)sulfonylamino]benzoic acid
CID 14113757

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-ethyl-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-ethyl-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide (CID 107699520) is 5-amino-2-ethyl-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-ethyl-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-ethyl-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide is CCc1ccc(N)cc1S(=O)(=O)Nc1ccc(C)c(O)c1.
What is the InChIKey of 5-amino-2-ethyl-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide?
The InChIKey is FYFONFYPAGPKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-3-11-5-6-12(16)8-15(11)21(19,20)17-13-7-4-10(2)14(18)9-13/h4-9,17-18H,3,16H2,1-2H3.
What are the key properties of 5-amino-2-ethyl-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide?
5-amino-2-ethyl-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-ethyl-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 107699520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).