4-(ethylamino)-2,6-dimethyl-N-(3-methyloxolan-3-yl)benzenesulfonamide

C15H24N2O3S — CID 107329156

IUPAC4-(ethylamino)-2,6-dimethyl-N-(3-methyloxolan-3-yl)benzenesulfonamide
SMILESCCNc1cc(C)c(S(=O)(=O)NC2(C)CCOC2)c(C)c1
InChIInChI=1S/C15H24N2O3S/c1-5-16-13-8-11(2)14(12(3)9-13)21(18,19)17-15(4)6-7-20-10-15/h8-9,16-17H,5-7,10H2,1-4H3
InChIKeyVMBTYMMJRNHAPH-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.19
Rot. Bonds5

About 4-(ethylamino)-2,6-dimethyl-N-(3-methyloxolan-3-yl)benzenesulfonamide

4-(ethylamino)-2,6-dimethyl-N-(3-methyloxolan-3-yl)benzenesulfonamide (PubChem CID 107329156) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-(ethylamino)-2,6-dimethyl-N-(3-methyloxolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(ethylamino)-2,6-dimethyl-N-(3-methyloxolan-3-yl)benzenesulfonamide
PubChem CID107329156
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name4-(ethylamino)-2,6-dimethyl-N-(3-methyloxolan-3-yl)benzenesulfonamide
SMILESCCNc1cc(C)c(S(=O)(=O)NC2(C)CCOC2)c(C)c1
InChIInChI=1S/C15H24N2O3S/c1-5-16-13-8-11(2)14(12(3)9-13)21(18,19)17-15(4)6-7-20-10-15/h8-9,16-17H,5-7,10H2,1-4H3
InChIKeyVMBTYMMJRNHAPH-UHFFFAOYSA-N
XLogP2.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethylamino)-N,2,6-trimethylbenzenesulfonamide
CID 107328529
2-(aminomethyl)-4-methyl-N-(3-methyloxolan-3-yl)thiophene-3-sulfonamide
CID 102754843
4-(ethylamino)-2,6-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331206
4-(ethylamino)-2,6-dimethyl-N-phenylbenzenesulfonamide
CID 107328484
5-methyl-4-[(3-methyloxolan-3-yl)sulfamoyl]-1H-pyrazole-3-carboxylic acid
CID 113481928
4-amino-2,6-dimethyl-N-(1-methylcyclopropyl)benzenesulfonamide
CID 113485231
4-fluoro-2,6-dimethyl-N-(1-methylcyclopropyl)benzenesulfonamide
CID 107327467
4-(aminomethyl)-2-methoxy-N-(3-methyloxolan-3-yl)benzenesulfonamide
CID 102704728
4-(ethylamino)-2,6-dimethyl-N-piperidin-1-ylbenzenesulfonamide
CID 107329086
2-(hydroxymethyl)-4-methyl-N-(4-methyloxan-4-yl)thiophene-3-sulfonamide
CID 102750244
3-(hydroxymethyl)-N-(3-methyloxolan-3-yl)benzenesulfonamide
CID 113482368
ethane;N-(3-methyloxolan-3-yl)methanesulfonamide
CID 167493461

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-2,6-dimethyl-N-(3-methyloxolan-3-yl)benzenesulfonamide?
The IUPAC name of 4-(ethylamino)-2,6-dimethyl-N-(3-methyloxolan-3-yl)benzenesulfonamide (CID 107329156) is 4-(ethylamino)-2,6-dimethyl-N-(3-methyloxolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(ethylamino)-2,6-dimethyl-N-(3-methyloxolan-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(ethylamino)-2,6-dimethyl-N-(3-methyloxolan-3-yl)benzenesulfonamide is CCNc1cc(C)c(S(=O)(=O)NC2(C)CCOC2)c(C)c1.
What is the InChIKey of 4-(ethylamino)-2,6-dimethyl-N-(3-methyloxolan-3-yl)benzenesulfonamide?
The InChIKey is VMBTYMMJRNHAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-5-16-13-8-11(2)14(12(3)9-13)21(18,19)17-15(4)6-7-20-10-15/h8-9,16-17H,5-7,10H2,1-4H3.
What are the key properties of 4-(ethylamino)-2,6-dimethyl-N-(3-methyloxolan-3-yl)benzenesulfonamide?
4-(ethylamino)-2,6-dimethyl-N-(3-methyloxolan-3-yl)benzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-2,6-dimethyl-N-(3-methyloxolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 107329156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).