3-amino-N-(2-ethoxyphenyl)-2-methylbenzenesulfonamide

C15H18N2O3S — CID 30058477

IUPAC3-amino-N-(2-ethoxyphenyl)-2-methylbenzenesulfonamide
SMILESCCOc1ccccc1NS(=O)(=O)c1cccc(N)c1C
InChIInChI=1S/C15H18N2O3S/c1-3-20-14-9-5-4-8-13(14)17-21(18,19)15-10-6-7-12(16)11(15)2/h4-10,17H,3,16H2,1-2H3
InChIKeyUSJNRRSYVOVSPE-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.78
Rot. Bonds5

About 3-amino-N-(2-ethoxyphenyl)-2-methylbenzenesulfonamide

3-amino-N-(2-ethoxyphenyl)-2-methylbenzenesulfonamide (PubChem CID 30058477) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3-amino-N-(2-ethoxyphenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-ethoxyphenyl)-2-methylbenzenesulfonamide
PubChem CID30058477
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name3-amino-N-(2-ethoxyphenyl)-2-methylbenzenesulfonamide
SMILESCCOc1ccccc1NS(=O)(=O)c1cccc(N)c1C
InChIInChI=1S/C15H18N2O3S/c1-3-20-14-9-5-4-8-13(14)17-21(18,19)15-10-6-7-12(16)11(15)2/h4-10,17H,3,16H2,1-2H3
InChIKeyUSJNRRSYVOVSPE-UHFFFAOYSA-N
XLogP2.78
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxyphenyl)-2,4-dimethylbenzenesulfonamide
CID 7742393
3-amino-2-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 61104840
4-(aminomethyl)-N-(2-ethoxyphenyl)benzenesulfonamide
CID 28546723
N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide
CID 50876640
4-chloro-N-(2-ethoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 22774232
5-(aminomethyl)-2-bromo-N-(2-ethoxyphenyl)furan-3-sulfonamide
CID 106048841
3-amino-N-(2-chloro-3-pyridinyl)-2-methylbenzenesulfonamide
CID 61108865
4-ethoxy-N-(2-ethoxyphenyl)benzenesulfonamide
CID 7559506
N-(2-ethoxyphenyl)-4-hydrazinylbenzenesulfonamide
CID 43454824
2-chloro-N-(2-propoxyphenyl)benzenesulfonamide
CID 7938551
2-bromo-N-(2-ethoxyphenyl)-4,5-dimethoxybenzenesulfonamide
CID 27658176
5-chloro-N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide
CID 9267445

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-ethoxyphenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(2-ethoxyphenyl)-2-methylbenzenesulfonamide (CID 30058477) is 3-amino-N-(2-ethoxyphenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(2-ethoxyphenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(2-ethoxyphenyl)-2-methylbenzenesulfonamide is CCOc1ccccc1NS(=O)(=O)c1cccc(N)c1C.
What is the InChIKey of 3-amino-N-(2-ethoxyphenyl)-2-methylbenzenesulfonamide?
The InChIKey is USJNRRSYVOVSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-3-20-14-9-5-4-8-13(14)17-21(18,19)15-10-6-7-12(16)11(15)2/h4-10,17H,3,16H2,1-2H3.
What are the key properties of 3-amino-N-(2-ethoxyphenyl)-2-methylbenzenesulfonamide?
3-amino-N-(2-ethoxyphenyl)-2-methylbenzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-ethoxyphenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 30058477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).