3-amino-N-ethyl-2,5-dimethyl-N-(2-methylbutyl)benzenesulfonamide

C15H26N2O2S — CID 79889083

IUPAC3-amino-N-ethyl-2,5-dimethyl-N-(2-methylbutyl)benzenesulfonamide
SMILESCCC(C)CN(CC)S(=O)(=O)c1cc(C)cc(N)c1C
InChIInChI=1S/C15H26N2O2S/c1-6-11(3)10-17(7-2)20(18,19)15-9-12(4)8-14(16)13(15)5/h8-9,11H,6-7,10,16H2,1-5H3
InChIKeyOLYFZHRQZXRAEK-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.94
Rot. Bonds6

About 3-amino-N-ethyl-2,5-dimethyl-N-(2-methylbutyl)benzenesulfonamide

3-amino-N-ethyl-2,5-dimethyl-N-(2-methylbutyl)benzenesulfonamide (PubChem CID 79889083) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 3-amino-N-ethyl-2,5-dimethyl-N-(2-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-ethyl-2,5-dimethyl-N-(2-methylbutyl)benzenesulfonamide
PubChem CID79889083
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name3-amino-N-ethyl-2,5-dimethyl-N-(2-methylbutyl)benzenesulfonamide
SMILESCCC(C)CN(CC)S(=O)(=O)c1cc(C)cc(N)c1C
InChIInChI=1S/C15H26N2O2S/c1-6-11(3)10-17(7-2)20(18,19)15-9-12(4)8-14(16)13(15)5/h8-9,11H,6-7,10,16H2,1-5H3
InChIKeyOLYFZHRQZXRAEK-UHFFFAOYSA-N
XLogP2.94
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.94
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

3-amino-5-chloro-N-ethyl-N-(2-ethylbutyl)-2-methylbenzenesulfonamide
CID 114378979
3-amino-N-ethyl-2,6-dimethyl-N-(2-methylbutyl)benzenesulfonamide
CID 79477818
5-(aminomethyl)-N-ethyl-2,4-dimethyl-N-(2-methylbutyl)benzenesulfonamide
CID 79471703
3-amino-N-(1-cyanopropan-2-yl)-N,2,5-trimethylbenzenesulfonamide
CID 79889751
4-amino-2,6-dichloro-N-ethyl-N-(2-methylbutyl)benzenesulfonamide
CID 79478104
4-amino-2-[ethyl(2-methylbutyl)sulfamoyl]benzoic acid
CID 102931373
2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)benzenesulfonamide
CID 79482199
5-(aminomethyl)-2,4-dichloro-N-ethyl-N-(2-methylbutyl)benzenesulfonamide
CID 79471583
2-amino-N-(2-cyanopropyl)-N-ethyl-4-methylbenzenesulfonamide
CID 61138586
N-ethyl-4-methyl-5-(methylaminomethyl)-N-(2-methylbutyl)thiophene-2-sulfonamide
CID 79470903
4-[ethyl(2-methylbutyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 79477863
2-bromo-N-ethyl-5-(hydroxymethyl)-N-(2-methylbutyl)furan-3-sulfonamide
CID 79470111

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-2,5-dimethyl-N-(2-methylbutyl)benzenesulfonamide?
The IUPAC name of 3-amino-N-ethyl-2,5-dimethyl-N-(2-methylbutyl)benzenesulfonamide (CID 79889083) is 3-amino-N-ethyl-2,5-dimethyl-N-(2-methylbutyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N-ethyl-2,5-dimethyl-N-(2-methylbutyl)benzenesulfonamide?
The canonical SMILES for 3-amino-N-ethyl-2,5-dimethyl-N-(2-methylbutyl)benzenesulfonamide is CCC(C)CN(CC)S(=O)(=O)c1cc(C)cc(N)c1C.
What is the InChIKey of 3-amino-N-ethyl-2,5-dimethyl-N-(2-methylbutyl)benzenesulfonamide?
The InChIKey is OLYFZHRQZXRAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-6-11(3)10-17(7-2)20(18,19)15-9-12(4)8-14(16)13(15)5/h8-9,11H,6-7,10,16H2,1-5H3.
What are the key properties of 3-amino-N-ethyl-2,5-dimethyl-N-(2-methylbutyl)benzenesulfonamide?
3-amino-N-ethyl-2,5-dimethyl-N-(2-methylbutyl)benzenesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-2,5-dimethyl-N-(2-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 79889083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).