2-amino-N-(3-ethylphenyl)-3,6-dimethylbenzenesulfonamide

C16H20N2O2S — CID 103171008

IUPAC2-amino-N-(3-ethylphenyl)-3,6-dimethylbenzenesulfonamide
SMILESCCc1cccc(NS(=O)(=O)c2c(C)ccc(C)c2N)c1
InChIInChI=1S/C16H20N2O2S/c1-4-13-6-5-7-14(10-13)18-21(19,20)16-12(3)9-8-11(2)15(16)17/h5-10,18H,4,17H2,1-3H3
InChIKeyIQYAMDDFKGFLDV-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.25
Rot. Bonds4

About 2-amino-N-(3-ethylphenyl)-3,6-dimethylbenzenesulfonamide

2-amino-N-(3-ethylphenyl)-3,6-dimethylbenzenesulfonamide (PubChem CID 103171008) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-amino-N-(3-ethylphenyl)-3,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(3-ethylphenyl)-3,6-dimethylbenzenesulfonamide
PubChem CID103171008
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name2-amino-N-(3-ethylphenyl)-3,6-dimethylbenzenesulfonamide
SMILESCCc1cccc(NS(=O)(=O)c2c(C)ccc(C)c2N)c1
InChIInChI=1S/C16H20N2O2S/c1-4-13-6-5-7-14(10-13)18-21(19,20)16-12(3)9-8-11(2)15(16)17/h5-10,18H,4,17H2,1-3H3
InChIKeyIQYAMDDFKGFLDV-UHFFFAOYSA-N
XLogP3.25
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.25
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

4-bromo-N-(3-ethylphenyl)-3-methylbenzenesulfonamide
CID 60641368
6-amino-N-(3-ethylphenyl)pyridine-3-sulfonamide
CID 62144898
2-amino-N-(4-chloro-3-fluorophenyl)-3,6-dimethylbenzenesulfonamide
CID 103171347
5-amino-N-(3-ethylphenyl)-2-methoxybenzenesulfonamide
CID 29267050
N-(3-ethylphenyl)pyridine-2-sulfonamide
CID 67565790
2-amino-N-(2-bromo-3-methylphenyl)-3,6-dimethylbenzenesulfonamide
CID 103171680
4-butyl-N-(3-ethylphenyl)benzenesulfonamide
CID 22773820
4-fluoro-N-[3-(hydroxymethyl)phenyl]-2,6-dimethylbenzenesulfonamide
CID 107326857
N-(3-ethylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 118346578
3-amino-N-(3-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide
CID 61166903
(3-ethylphenyl)hydrazine;sulfuric acid
CID 138619674
2-[(3-ethylphenyl)sulfamoyl]acetic acid
CID 28773818

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-ethylphenyl)-3,6-dimethylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(3-ethylphenyl)-3,6-dimethylbenzenesulfonamide (CID 103171008) is 2-amino-N-(3-ethylphenyl)-3,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(3-ethylphenyl)-3,6-dimethylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(3-ethylphenyl)-3,6-dimethylbenzenesulfonamide is CCc1cccc(NS(=O)(=O)c2c(C)ccc(C)c2N)c1.
What is the InChIKey of 2-amino-N-(3-ethylphenyl)-3,6-dimethylbenzenesulfonamide?
The InChIKey is IQYAMDDFKGFLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-4-13-6-5-7-14(10-13)18-21(19,20)16-12(3)9-8-11(2)15(16)17/h5-10,18H,4,17H2,1-3H3.
What are the key properties of 2-amino-N-(3-ethylphenyl)-3,6-dimethylbenzenesulfonamide?
2-amino-N-(3-ethylphenyl)-3,6-dimethylbenzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-ethylphenyl)-3,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 103171008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).