N-(2,2-dimethyloxan-4-yl)-4-(ethylamino)benzenesulfonamide

C15H24N2O3S — CID 83035482

IUPACN-(2,2-dimethyloxan-4-yl)-4-(ethylamino)benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)NC2CCOC(C)(C)C2)cc1
InChIInChI=1S/C15H24N2O3S/c1-4-16-12-5-7-14(8-6-12)21(18,19)17-13-9-10-20-15(2,3)11-13/h5-8,13,16-17H,4,9-11H2,1-3H3
InChIKeyBQDLVBYUQSIEJX-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.35
Rot. Bonds5

About N-(2,2-dimethyloxan-4-yl)-4-(ethylamino)benzenesulfonamide

N-(2,2-dimethyloxan-4-yl)-4-(ethylamino)benzenesulfonamide (PubChem CID 83035482) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-4-(ethylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-4-(ethylamino)benzenesulfonamide
PubChem CID83035482
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-(2,2-dimethyloxan-4-yl)-4-(ethylamino)benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)NC2CCOC(C)(C)C2)cc1
InChIInChI=1S/C15H24N2O3S/c1-4-16-12-5-7-14(8-6-12)21(18,19)17-13-9-10-20-15(2,3)11-13/h5-8,13,16-17H,4,9-11H2,1-3H3
InChIKeyBQDLVBYUQSIEJX-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide
CID 83027811
1-N-butyl-4-N-(2,2-dimethyloxan-4-yl)benzene-1,4-disulfonamide
CID 4617022
4-acetyl-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide
CID 115563563
N-(2,2-dimethyloxan-4-yl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 83035231
4-amino-N-(2,2-dimethyloxan-4-yl)-3-methylbenzenesulfonamide
CID 83026925
N-(2,2-dimethyloxan-4-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 648544
N-cyclooctyl-4-(ethylamino)benzenesulfonamide
CID 62150101
N-(2,2-dimethyloxan-4-yl)-4-(ethylamino)benzamide
CID 83039025
N-[(4S)-2,2-dimethyloxan-4-yl]-4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzenesulfonamide
CID 1459677
N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-4-sulfonamide
CID 113336491
N-(2,2-dimethyloxan-4-yl)-2-(methylamino)benzenesulfonamide
CID 83040379
2-bromo-N-(2,2-dimethyloxan-4-yl)-4-fluorobenzenesulfonamide
CID 115563559

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-4-(ethylamino)benzenesulfonamide?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-4-(ethylamino)benzenesulfonamide (CID 83035482) is N-(2,2-dimethyloxan-4-yl)-4-(ethylamino)benzenesulfonamide.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-4-(ethylamino)benzenesulfonamide?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-4-(ethylamino)benzenesulfonamide is CCNc1ccc(S(=O)(=O)NC2CCOC(C)(C)C2)cc1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-4-(ethylamino)benzenesulfonamide?
The InChIKey is BQDLVBYUQSIEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-4-16-12-5-7-14(8-6-12)21(18,19)17-13-9-10-20-15(2,3)11-13/h5-8,13,16-17H,4,9-11H2,1-3H3.
What are the key properties of N-(2,2-dimethyloxan-4-yl)-4-(ethylamino)benzenesulfonamide?
N-(2,2-dimethyloxan-4-yl)-4-(ethylamino)benzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-4-(ethylamino)benzenesulfonamide is sourced from PubChem (CID 83035482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).