3-amino-N-(2,2-dimethylpropyl)-4-ethylbenzenesulfonamide

C13H22N2O2S — CID 61168643

IUPAC3-amino-N-(2,2-dimethylpropyl)-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC(C)(C)C)cc1N
InChIInChI=1S/C13H22N2O2S/c1-5-10-6-7-11(8-12(10)14)18(16,17)15-9-13(2,3)4/h6-8,15H,5,9,14H2,1-4H3
InChIKeyNRBKWSCPBCOTIR-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.16
Rot. Bonds4

About 3-amino-N-(2,2-dimethylpropyl)-4-ethylbenzenesulfonamide

3-amino-N-(2,2-dimethylpropyl)-4-ethylbenzenesulfonamide (PubChem CID 61168643) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 3-amino-N-(2,2-dimethylpropyl)-4-ethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(2,2-dimethylpropyl)-4-ethylbenzenesulfonamide
PubChem CID61168643
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name3-amino-N-(2,2-dimethylpropyl)-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC(C)(C)C)cc1N
InChIInChI=1S/C13H22N2O2S/c1-5-10-6-7-11(8-12(10)14)18(16,17)15-9-13(2,3)4/h6-8,15H,5,9,14H2,1-4H3
InChIKeyNRBKWSCPBCOTIR-UHFFFAOYSA-N
XLogP2.16
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.16
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

3-amino-4-ethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43256978
2-[(3-amino-4-ethylphenyl)sulfonylamino]acetamide
CID 43257083
3-amino-4-ethyl-N-(3-methoxypropyl)benzenesulfonamide
CID 43258870
3-amino-4-ethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
CID 79352793
N-[2-[(3-amino-4-ethylphenyl)sulfonylamino]ethyl]acetamide
CID 43552681
3-amino-4-ethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 60904241
3-amino-N-(cyclopentylmethyl)-4-ethylbenzenesulfonamide
CID 43370862
3-amino-4-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65104000
3-amino-N-(2,2-dimethylpropyl)-4-fluoro-5-methylbenzenesulfonamide
CID 115421409
N-(2,2-dimethylpropyl)-4-hydrazinylbenzenesulfonamide
CID 61168465
3-amino-N-cycloheptyl-4-ethylbenzenesulfonamide
CID 43258911
methyl 3-[(3-amino-4-ethylphenyl)sulfonylamino]-2-hydroxypropanoate
CID 107213720

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,2-dimethylpropyl)-4-ethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(2,2-dimethylpropyl)-4-ethylbenzenesulfonamide (CID 61168643) is 3-amino-N-(2,2-dimethylpropyl)-4-ethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(2,2-dimethylpropyl)-4-ethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(2,2-dimethylpropyl)-4-ethylbenzenesulfonamide is CCc1ccc(S(=O)(=O)NCC(C)(C)C)cc1N.
What is the InChIKey of 3-amino-N-(2,2-dimethylpropyl)-4-ethylbenzenesulfonamide?
The InChIKey is NRBKWSCPBCOTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-5-10-6-7-11(8-12(10)14)18(16,17)15-9-13(2,3)4/h6-8,15H,5,9,14H2,1-4H3.
What are the key properties of 3-amino-N-(2,2-dimethylpropyl)-4-ethylbenzenesulfonamide?
3-amino-N-(2,2-dimethylpropyl)-4-ethylbenzenesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2-dimethylpropyl)-4-ethylbenzenesulfonamide is sourced from PubChem (CID 61168643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).