2-[(2,2-diethyloxan-4-yl)amino]benzenesulfonamide

C15H24N2O3S — CID 83037092

IUPAC2-[(2,2-diethyloxan-4-yl)amino]benzenesulfonamide
SMILESCCC1(CC)CC(Nc2ccccc2S(N)(=O)=O)CCO1
InChIInChI=1S/C15H24N2O3S/c1-3-15(4-2)11-12(9-10-20-15)17-13-7-5-6-8-14(13)21(16,18)19/h5-8,12,17H,3-4,9-11H2,1-2H3,(H2,16,18,19)
InChIKeyVVHFIUOWIVHIBC-UHFFFAOYSA-N
MW312.43 g/mol
LogP2.48
Rot. Bonds5

About 2-[(2,2-diethyloxan-4-yl)amino]benzenesulfonamide

2-[(2,2-diethyloxan-4-yl)amino]benzenesulfonamide (PubChem CID 83037092) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is 2-[(2,2-diethyloxan-4-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name2-[(2,2-diethyloxan-4-yl)amino]benzenesulfonamide
PubChem CID83037092
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC Name2-[(2,2-diethyloxan-4-yl)amino]benzenesulfonamide
SMILESCCC1(CC)CC(Nc2ccccc2S(N)(=O)=O)CCO1
InChIInChI=1S/C15H24N2O3S/c1-3-15(4-2)11-12(9-10-20-15)17-13-7-5-6-8-14(13)21(16,18)19/h5-8,12,17H,3-4,9-11H2,1-2H3,(H2,16,18,19)
InChIKeyVVHFIUOWIVHIBC-UHFFFAOYSA-N
XLogP2.48
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(2,2-diethyloxan-4-yl)-4-iodobenzene-1,2-diamine
CID 83027430
(5R,9R)-N-(2-ethylsulfonylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 125138409
2-[(3-hydroxy-3-methylcyclobutyl)amino]benzenesulfonamide
CID 175896312
N-(3-chloro-2-nitrophenyl)-2,2-diethyloxan-4-amine
CID 104836068
2-[(2,2-diethyloxan-4-yl)amino]-6-fluorobenzenecarbothioamide
CID 83036685
4-bromo-2-N-(2,2-diethyloxan-4-yl)benzene-1,2-diamine
CID 83027025
5-[[(2,2-diethyloxan-4-yl)amino]methyl]furan-2-sulfonamide
CID 83035865
2-[[(3R)-1-ethylpyrrolidin-3-yl]amino]benzenesulfonamide
CID 141356617
N-(2-ethylsulfonylphenyl)oxan-4-amine
CID 43610395
3,6-dichloro-N-(2,2-diethyloxan-4-yl)pyridazin-4-amine
CID 83028580
1-N-(2,2-diethyloxan-4-yl)-3,5-difluorobenzene-1,2-diamine
CID 83027186
1-N-(2,2-diethyloxan-4-yl)-4-nitrobenzene-1,2-diamine
CID 83035182

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-diethyloxan-4-yl)amino]benzenesulfonamide?
The IUPAC name of 2-[(2,2-diethyloxan-4-yl)amino]benzenesulfonamide (CID 83037092) is 2-[(2,2-diethyloxan-4-yl)amino]benzenesulfonamide.
What is the SMILES notation for 2-[(2,2-diethyloxan-4-yl)amino]benzenesulfonamide?
The canonical SMILES for 2-[(2,2-diethyloxan-4-yl)amino]benzenesulfonamide is CCC1(CC)CC(Nc2ccccc2S(N)(=O)=O)CCO1.
What is the InChIKey of 2-[(2,2-diethyloxan-4-yl)amino]benzenesulfonamide?
The InChIKey is VVHFIUOWIVHIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-3-15(4-2)11-12(9-10-20-15)17-13-7-5-6-8-14(13)21(16,18)19/h5-8,12,17H,3-4,9-11H2,1-2H3,(H2,16,18,19).
What are the key properties of 2-[(2,2-diethyloxan-4-yl)amino]benzenesulfonamide?
2-[(2,2-diethyloxan-4-yl)amino]benzenesulfonamide has a molecular weight of 312.43 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-diethyloxan-4-yl)amino]benzenesulfonamide is sourced from PubChem (CID 83037092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).