5-amino-2-ethyl-N,N-bis(2-methylpropyl)benzenesulfonamide

C16H28N2O2S — CID 43587392

IUPAC5-amino-2-ethyl-N,N-bis(2-methylpropyl)benzenesulfonamide
SMILESCCc1ccc(N)cc1S(=O)(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C16H28N2O2S/c1-6-14-7-8-15(17)9-16(14)21(19,20)18(10-12(2)3)11-13(4)5/h7-9,12-13H,6,10-11,17H2,1-5H3
InChIKeySAZGVJKTIQAYET-UHFFFAOYSA-N
MW312.48 g/mol
LogP3.13
Rot. Bonds7

About 5-amino-2-ethyl-N,N-bis(2-methylpropyl)benzenesulfonamide

5-amino-2-ethyl-N,N-bis(2-methylpropyl)benzenesulfonamide (PubChem CID 43587392) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is 5-amino-2-ethyl-N,N-bis(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-ethyl-N,N-bis(2-methylpropyl)benzenesulfonamide
PubChem CID43587392
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC Name5-amino-2-ethyl-N,N-bis(2-methylpropyl)benzenesulfonamide
SMILESCCc1ccc(N)cc1S(=O)(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C16H28N2O2S/c1-6-14-7-8-15(17)9-16(14)21(19,20)18(10-12(2)3)11-13(4)5/h7-9,12-13H,6,10-11,17H2,1-5H3
InChIKeySAZGVJKTIQAYET-UHFFFAOYSA-N
XLogP3.13
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N,N,2-triethylbenzenesulfonamide
CID 43255626
5-amino-2-ethyl-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61114748
5-amino-2-ethyl-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 62333305
5-amino-2-methoxy-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 43587371
4-amino-2-bromo-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 43587401
2-[(5-amino-2-ethylphenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 61114283
2-[(5-amino-2-methylphenyl)sulfonyl-(2-methylpropyl)amino]acetamide
CID 61115794
5-amino-2-ethyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 113498553
5-amino-N-cyclopentyl-2-ethyl-N-methylbenzenesulfonamide
CID 43266863
5-amino-N,2-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43271671
5-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-ethylbenzenesulfonamide
CID 61476241
5-amino-N-benzyl-2-ethyl-N-methylbenzenesulfonamide
CID 43256238

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-ethyl-N,N-bis(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-ethyl-N,N-bis(2-methylpropyl)benzenesulfonamide (CID 43587392) is 5-amino-2-ethyl-N,N-bis(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-ethyl-N,N-bis(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-ethyl-N,N-bis(2-methylpropyl)benzenesulfonamide is CCc1ccc(N)cc1S(=O)(=O)N(CC(C)C)CC(C)C.
What is the InChIKey of 5-amino-2-ethyl-N,N-bis(2-methylpropyl)benzenesulfonamide?
The InChIKey is SAZGVJKTIQAYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-6-14-7-8-15(17)9-16(14)21(19,20)18(10-12(2)3)11-13(4)5/h7-9,12-13H,6,10-11,17H2,1-5H3.
What are the key properties of 5-amino-2-ethyl-N,N-bis(2-methylpropyl)benzenesulfonamide?
5-amino-2-ethyl-N,N-bis(2-methylpropyl)benzenesulfonamide has a molecular weight of 312.48 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-ethyl-N,N-bis(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 43587392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).