N-(2,2-dimethyloxan-4-yl)-4-(1-hydroxyethyl)benzenesulfonamide

C15H23NO4S — CID 83035231

IUPACN-(2,2-dimethyloxan-4-yl)-4-(1-hydroxyethyl)benzenesulfonamide
SMILESCC(O)c1ccc(S(=O)(=O)NC2CCOC(C)(C)C2)cc1
InChIInChI=1S/C15H23NO4S/c1-11(17)12-4-6-14(7-5-12)21(18,19)16-13-8-9-20-15(2,3)10-13/h4-7,11,13,16-17H,8-10H2,1-3H3
InChIKeyNQWGRPWXYORMRW-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.98
Rot. Bonds4

About N-(2,2-dimethyloxan-4-yl)-4-(1-hydroxyethyl)benzenesulfonamide

N-(2,2-dimethyloxan-4-yl)-4-(1-hydroxyethyl)benzenesulfonamide (PubChem CID 83035231) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-4-(1-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-4-(1-hydroxyethyl)benzenesulfonamide
PubChem CID83035231
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC NameN-(2,2-dimethyloxan-4-yl)-4-(1-hydroxyethyl)benzenesulfonamide
SMILESCC(O)c1ccc(S(=O)(=O)NC2CCOC(C)(C)C2)cc1
InChIInChI=1S/C15H23NO4S/c1-11(17)12-4-6-14(7-5-12)21(18,19)16-13-8-9-20-15(2,3)10-13/h4-7,11,13,16-17H,8-10H2,1-3H3
InChIKeyNQWGRPWXYORMRW-UHFFFAOYSA-N
XLogP1.98
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide
CID 115563563
4-amino-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide
CID 83027811
N-(2,2-dimethyloxan-4-yl)-4-(ethylamino)benzenesulfonamide
CID 83035482
4-amino-N-(2,2-dimethyloxan-4-yl)-3-methylbenzenesulfonamide
CID 83026925
N-(2,2-dimethyloxan-4-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 648544
1-N-butyl-4-N-(2,2-dimethyloxan-4-yl)benzene-1,4-disulfonamide
CID 4617022
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
4-(1-hydroxyethyl)-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 61465004
4-[(2,2-dimethyloxan-4-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 83028070
2-[(2,2-dimethyloxan-4-yl)sulfamoyl]propanethioamide
CID 83028392
N-(2,2-dimethyloxan-4-yl)-2-(methylamino)benzenesulfonamide
CID 83040379

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-4-(1-hydroxyethyl)benzenesulfonamide?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-4-(1-hydroxyethyl)benzenesulfonamide (CID 83035231) is N-(2,2-dimethyloxan-4-yl)-4-(1-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-4-(1-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-4-(1-hydroxyethyl)benzenesulfonamide is CC(O)c1ccc(S(=O)(=O)NC2CCOC(C)(C)C2)cc1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-4-(1-hydroxyethyl)benzenesulfonamide?
The InChIKey is NQWGRPWXYORMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-11(17)12-4-6-14(7-5-12)21(18,19)16-13-8-9-20-15(2,3)10-13/h4-7,11,13,16-17H,8-10H2,1-3H3.
What are the key properties of N-(2,2-dimethyloxan-4-yl)-4-(1-hydroxyethyl)benzenesulfonamide?
N-(2,2-dimethyloxan-4-yl)-4-(1-hydroxyethyl)benzenesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 1.98, 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)-4-(1-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 83035231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).