4-amino-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide

C13H22N2O3S — CID 81053045

IUPAC4-amino-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
SMILESCc1cc(N)ccc1S(=O)(=O)N(C)CCOC(C)C
InChIInChI=1S/C13H22N2O3S/c1-10(2)18-8-7-15(4)19(16,17)13-6-5-12(14)9-11(13)3/h5-6,9-10H,7-8,14H2,1-4H3
InChIKeyPRDHSJBYZLEJPJ-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.62
Rot. Bonds6

About 4-amino-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide

4-amino-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide (PubChem CID 81053045) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 4-amino-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
PubChem CID81053045
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name4-amino-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
SMILESCc1cc(N)ccc1S(=O)(=O)N(C)CCOC(C)C
InChIInChI=1S/C13H22N2O3S/c1-10(2)18-8-7-15(4)19(16,17)13-6-5-12(14)9-11(13)3/h5-6,9-10H,7-8,14H2,1-4H3
InChIKeyPRDHSJBYZLEJPJ-UHFFFAOYSA-N
XLogP1.62
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-bromo-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81052656
4-amino-N-(2-ethoxyethyl)-N,2-dimethylbenzenesulfonamide
CID 81053199
2-amino-N,4-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81053835
4-amino-N-(2-hydroxyethyl)-N,2-dimethylbenzenesulfonamide
CID 43258909
4-amino-N-butyl-N,2-dimethylbenzenesulfonamide
CID 43258018
4-amino-N,2-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112656554
2-amino-N,3,6-trimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 103171665
2-amino-5-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81052971
4-amino-2-methyl-N,N-di(propan-2-yl)benzenesulfonamide
CID 165486376
5-(aminomethyl)-2-bromo-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81067632
2-amino-5-bromo-4-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 106491946
4-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-methylbenzenesulfonamide
CID 61109788

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
The IUPAC name of 4-amino-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide (CID 81053045) is 4-amino-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide is Cc1cc(N)ccc1S(=O)(=O)N(C)CCOC(C)C.
What is the InChIKey of 4-amino-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
The InChIKey is PRDHSJBYZLEJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-10(2)18-8-7-15(4)19(16,17)13-6-5-12(14)9-11(13)3/h5-6,9-10H,7-8,14H2,1-4H3.
What are the key properties of 4-amino-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
4-amino-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide is sourced from PubChem (CID 81053045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).