5-amino-N-(4-ethylphenyl)-2-methylbenzenesulfonamide

C15H18N2O2S — CID 29285974

IUPAC5-amino-N-(4-ethylphenyl)-2-methylbenzenesulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2cc(N)ccc2C)cc1
InChIInChI=1S/C15H18N2O2S/c1-3-12-5-8-14(9-6-12)17-20(18,19)15-10-13(16)7-4-11(15)2/h4-10,17H,3,16H2,1-2H3
InChIKeyRIPAAXNOTDGYEI-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.94
Rot. Bonds4

About 5-amino-N-(4-ethylphenyl)-2-methylbenzenesulfonamide

5-amino-N-(4-ethylphenyl)-2-methylbenzenesulfonamide (PubChem CID 29285974) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 5-amino-N-(4-ethylphenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(4-ethylphenyl)-2-methylbenzenesulfonamide
PubChem CID29285974
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name5-amino-N-(4-ethylphenyl)-2-methylbenzenesulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2cc(N)ccc2C)cc1
InChIInChI=1S/C15H18N2O2S/c1-3-12-5-8-14(9-6-12)17-20(18,19)15-10-13(16)7-4-11(15)2/h4-10,17H,3,16H2,1-2H3
InChIKeyRIPAAXNOTDGYEI-UHFFFAOYSA-N
XLogP2.94
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(4-aminophenyl)-2-methylbenzenesulfonamide
CID 57346246
5-amino-N-[(4-ethylphenyl)methyl]-2-methylbenzenesulfonamide
CID 106899180
5-amino-N-(4-ethoxyphenyl)-2-methylbenzenesulfonamide
CID 3310244
4-[(5-amino-2-methylphenyl)sulfonylamino]benzoic acid
CID 14113757
5-amino-2-ethyl-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 107699520
5-[(4-ethylphenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide
CID 8519772
5-amino-N-(2,6-dimethylphenyl)-2-methylbenzenesulfonamide
CID 29043173
N-(3-amino-4-ethylphenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43551076
5-amino-N-(3-ethoxyphenyl)-2-methylbenzenesulfonamide
CID 61125171
N-(4-ethylphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
CID 1022025
3-(aminomethyl)-N-(4-ethylphenyl)-4-methylbenzenesulfonamide
CID 107236787
5-amino-N-(4-bromo-3-methoxyphenyl)-2-methylbenzenesulfonamide
CID 82859179

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-ethylphenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(4-ethylphenyl)-2-methylbenzenesulfonamide (CID 29285974) is 5-amino-N-(4-ethylphenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(4-ethylphenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(4-ethylphenyl)-2-methylbenzenesulfonamide is CCc1ccc(NS(=O)(=O)c2cc(N)ccc2C)cc1.
What is the InChIKey of 5-amino-N-(4-ethylphenyl)-2-methylbenzenesulfonamide?
The InChIKey is RIPAAXNOTDGYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-3-12-5-8-14(9-6-12)17-20(18,19)15-10-13(16)7-4-11(15)2/h4-10,17H,3,16H2,1-2H3.
What are the key properties of 5-amino-N-(4-ethylphenyl)-2-methylbenzenesulfonamide?
5-amino-N-(4-ethylphenyl)-2-methylbenzenesulfonamide has a molecular weight of 290.39 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-ethylphenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 29285974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).