4-(ethylamino)-N,2,6-trimethyl-N-(oxolan-3-yl)benzenesulfonamide

C15H24N2O3S — CID 107329077

IUPAC4-(ethylamino)-N,2,6-trimethyl-N-(oxolan-3-yl)benzenesulfonamide
SMILESCCNc1cc(C)c(S(=O)(=O)N(C)C2CCOC2)c(C)c1
InChIInChI=1S/C15H24N2O3S/c1-5-16-13-8-11(2)15(12(3)9-13)21(18,19)17(4)14-6-7-20-10-14/h8-9,14,16H,5-7,10H2,1-4H3
InChIKeyISYLICPKIHADTI-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.14
Rot. Bonds5

About 4-(ethylamino)-N,2,6-trimethyl-N-(oxolan-3-yl)benzenesulfonamide

4-(ethylamino)-N,2,6-trimethyl-N-(oxolan-3-yl)benzenesulfonamide (PubChem CID 107329077) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-(ethylamino)-N,2,6-trimethyl-N-(oxolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(ethylamino)-N,2,6-trimethyl-N-(oxolan-3-yl)benzenesulfonamide
PubChem CID107329077
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name4-(ethylamino)-N,2,6-trimethyl-N-(oxolan-3-yl)benzenesulfonamide
SMILESCCNc1cc(C)c(S(=O)(=O)N(C)C2CCOC2)c(C)c1
InChIInChI=1S/C15H24N2O3S/c1-5-16-13-8-11(2)15(12(3)9-13)21(18,19)17(4)14-6-7-20-10-14/h8-9,14,16H,5-7,10H2,1-4H3
InChIKeyISYLICPKIHADTI-UHFFFAOYSA-N
XLogP2.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N,2,5,6-tetramethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 106505264
4-fluoro-N,2,6-trimethyl-N-(oxan-4-yl)benzenesulfonamide
CID 107326757
5-amino-2-fluoro-N,4-dimethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82740574
N-methyl-N-(oxolan-3-yl)-4-(propylamino)benzenesulfonamide
CID 82744052
6-(ethylamino)-N-methyl-N-(oxolan-3-yl)pyridine-3-sulfonamide
CID 82744212
4-(ethylamino)-N,2,6-trimethyl-N-propylbenzenesulfonamide
CID 107328647
4-bromo-N,2-dimethyl-N-[(3R)-oxolan-3-yl]benzenesulfonamide
CID 99634312
5-(chloromethyl)-N,2-dimethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82744473
N,2-dimethyl-5-(methylaminomethyl)-N-(oxolan-3-yl)thiophene-3-sulfonamide
CID 82746069
5-(chloromethyl)-N,2-dimethyl-N-(oxolan-3-yl)thiophene-3-sulfonamide
CID 82746154
5-amino-2-ethyl-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82741698
4-(ethylaminomethyl)-N-methyl-N-(oxolan-3-yl)thiophene-2-sulfonamide
CID 82744724

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N,2,6-trimethyl-N-(oxolan-3-yl)benzenesulfonamide?
The IUPAC name of 4-(ethylamino)-N,2,6-trimethyl-N-(oxolan-3-yl)benzenesulfonamide (CID 107329077) is 4-(ethylamino)-N,2,6-trimethyl-N-(oxolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(ethylamino)-N,2,6-trimethyl-N-(oxolan-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(ethylamino)-N,2,6-trimethyl-N-(oxolan-3-yl)benzenesulfonamide is CCNc1cc(C)c(S(=O)(=O)N(C)C2CCOC2)c(C)c1.
What is the InChIKey of 4-(ethylamino)-N,2,6-trimethyl-N-(oxolan-3-yl)benzenesulfonamide?
The InChIKey is ISYLICPKIHADTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-5-16-13-8-11(2)15(12(3)9-13)21(18,19)17(4)14-6-7-20-10-14/h8-9,14,16H,5-7,10H2,1-4H3.
What are the key properties of 4-(ethylamino)-N,2,6-trimethyl-N-(oxolan-3-yl)benzenesulfonamide?
4-(ethylamino)-N,2,6-trimethyl-N-(oxolan-3-yl)benzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N,2,6-trimethyl-N-(oxolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 107329077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).