4-amino-N-butyl-N-ethyl-2,6-dimethylbenzenesulfonamide

C14H24N2O2S — CID 79589441

IUPAC4-amino-N-butyl-N-ethyl-2,6-dimethylbenzenesulfonamide
SMILESCCCCN(CC)S(=O)(=O)c1c(C)cc(N)cc1C
InChIInChI=1S/C14H24N2O2S/c1-5-7-8-16(6-2)19(17,18)14-11(3)9-13(15)10-12(14)4/h9-10H,5-8,15H2,1-4H3
InChIKeyXNQDVBAQWNALHF-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.70
Rot. Bonds6

About 4-amino-N-butyl-N-ethyl-2,6-dimethylbenzenesulfonamide

4-amino-N-butyl-N-ethyl-2,6-dimethylbenzenesulfonamide (PubChem CID 79589441) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 4-amino-N-butyl-N-ethyl-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-butyl-N-ethyl-2,6-dimethylbenzenesulfonamide
PubChem CID79589441
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name4-amino-N-butyl-N-ethyl-2,6-dimethylbenzenesulfonamide
SMILESCCCCN(CC)S(=O)(=O)c1c(C)cc(N)cc1C
InChIInChI=1S/C14H24N2O2S/c1-5-7-8-16(6-2)19(17,18)14-11(3)9-13(15)10-12(14)4/h9-10H,5-8,15H2,1-4H3
InChIKeyXNQDVBAQWNALHF-UHFFFAOYSA-N
XLogP2.70
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.70
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

N-butyl-N-(2-hydroxyethyl)-2,4,6-trimethylbenzenesulfonamide
CID 61448329
2-[(4-amino-2,6-dimethylphenyl)sulfonyl-ethylamino]-N-methylacetamide
CID 79589101
4-[ethyl-(2,4,6-trimethylphenyl)sulfonylamino]butanamide
CID 69170687
N-[4-[4-[4-[4-aminobutyl-(2,4,6-trimethylphenyl)sulfonylamino]butyl-(2,4,6-trimethylphenyl)sulfonylamino]butyl-(2,4,6-trimethylphenyl)sulfonylamino]butyl]-N-ethyl-2,4,6-trimethylbenzenesulfonamide
CID 11115779
N,N-dihexyl-2,4,6-trimethylbenzenesulfonamide
CID 19682365
4-amino-N,N-dibutyl-2-methylbenzenesulfonamide
CID 43258806
N-ethyl-4-hydrazinyl-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
CID 107327891
N-ethyl-N-(3-hydroxypropyl)-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 115755468
4-amino-2,6-dibromo-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 54880030
2-[(5-amino-2,3-dimethylphenyl)sulfonyl-butylamino]acetamide
CID 61106635
N-(2-hydroxyethyl)-2,4,6-trimethyl-N-propylbenzenesulfonamide
CID 61425521
2-amino-N-butyl-N-ethylpyrimidine-5-sulfonamide
CID 62149065

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butyl-N-ethyl-2,6-dimethylbenzenesulfonamide?
The IUPAC name of 4-amino-N-butyl-N-ethyl-2,6-dimethylbenzenesulfonamide (CID 79589441) is 4-amino-N-butyl-N-ethyl-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-butyl-N-ethyl-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-butyl-N-ethyl-2,6-dimethylbenzenesulfonamide is CCCCN(CC)S(=O)(=O)c1c(C)cc(N)cc1C.
What is the InChIKey of 4-amino-N-butyl-N-ethyl-2,6-dimethylbenzenesulfonamide?
The InChIKey is XNQDVBAQWNALHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-5-7-8-16(6-2)19(17,18)14-11(3)9-13(15)10-12(14)4/h9-10H,5-8,15H2,1-4H3.
What are the key properties of 4-amino-N-butyl-N-ethyl-2,6-dimethylbenzenesulfonamide?
4-amino-N-butyl-N-ethyl-2,6-dimethylbenzenesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butyl-N-ethyl-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 79589441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).