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

C14H22N2O3S — CID 83040379

IUPACN-(2,2-dimethyloxan-4-yl)-2-(methylamino)benzenesulfonamide
SMILESCNc1ccccc1S(=O)(=O)NC1CCOC(C)(C)C1
InChIInChI=1S/C14H22N2O3S/c1-14(2)10-11(8-9-19-14)16-20(17,18)13-7-5-4-6-12(13)15-3/h4-7,11,15-16H,8-10H2,1-3H3
InChIKeyQWSDZVSNGJANCI-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.96
Rot. Bonds4

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

N-(2,2-dimethyloxan-4-yl)-2-(methylamino)benzenesulfonamide (PubChem CID 83040379) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-2-(methylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-2-(methylamino)benzenesulfonamide
PubChem CID83040379
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-(2,2-dimethyloxan-4-yl)-2-(methylamino)benzenesulfonamide
SMILESCNc1ccccc1S(=O)(=O)NC1CCOC(C)(C)C1
InChIInChI=1S/C14H22N2O3S/c1-14(2)10-11(8-9-19-14)16-20(17,18)13-7-5-4-6-12(13)15-3/h4-7,11,15-16H,8-10H2,1-3H3
InChIKeyQWSDZVSNGJANCI-UHFFFAOYSA-N
XLogP1.96
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(2,2-dimethyloxan-4-yl)-4-fluorobenzenesulfonamide
CID 115563559
4-amino-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide
CID 83027811
N-(2,2-dimethyloxan-4-yl)-4-(ethylamino)benzenesulfonamide
CID 83035482
N-(2,2-dimethyloxan-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 115563568
5-amino-N-(2,2-dimethyloxan-4-yl)-2,3-dimethylbenzenesulfonamide
CID 83034968
4-acetyl-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide
CID 115563563
5-amino-N-(2,2-dimethyloxan-4-yl)-2,4-difluorobenzenesulfonamide
CID 83034972
4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-2-methylbenzenesulfonamide
CID 106997091
4-amino-N-(2,2-dimethyloxan-4-yl)-3-methylbenzenesulfonamide
CID 83026925
N-(2,2-dimethyloxan-4-yl)-3-fluoropyridine-2-sulfonamide
CID 103300360
2-(methylamino)-N-(4-propylcyclohexyl)benzenesulfonamide
CID 62156688
N-(2,2-dimethyloxan-4-yl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 83035231

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-2-(methylamino)benzenesulfonamide?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-2-(methylamino)benzenesulfonamide (CID 83040379) is N-(2,2-dimethyloxan-4-yl)-2-(methylamino)benzenesulfonamide.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-2-(methylamino)benzenesulfonamide?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-2-(methylamino)benzenesulfonamide is CNc1ccccc1S(=O)(=O)NC1CCOC(C)(C)C1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-2-(methylamino)benzenesulfonamide?
The InChIKey is QWSDZVSNGJANCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-14(2)10-11(8-9-19-14)16-20(17,18)13-7-5-4-6-12(13)15-3/h4-7,11,15-16H,8-10H2,1-3H3.
What are the key properties of N-(2,2-dimethyloxan-4-yl)-2-(methylamino)benzenesulfonamide?
N-(2,2-dimethyloxan-4-yl)-2-(methylamino)benzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.96, 4 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)-2-(methylamino)benzenesulfonamide is sourced from PubChem (CID 83040379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).