N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide

C15H23NO5S — CID 86795558

IUPACN-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide
SMILESCN(CC(C)(C)O)S(=O)(=O)c1ccc(C2(C)OCCO2)cc1
InChIInChI=1S/C15H23NO5S/c1-14(2,17)11-16(4)22(18,19)13-7-5-12(6-8-13)15(3)20-9-10-21-15/h5-8,17H,9-11H2,1-4H3
InChIKeyNPRJBHVHALBRCZ-UHFFFAOYSA-N
MW329.42 g/mol
LogP1.30
Rot. Bonds5

About N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide

N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide (PubChem CID 86795558) has the molecular formula C15H23NO5S and a molecular weight of 329.42 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide
PubChem CID86795558
Molecular FormulaC15H23NO5S
Molecular Weight329.42 g/mol
Exact Mass329.13
IUPAC NameN-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide
SMILESCN(CC(C)(C)O)S(=O)(=O)c1ccc(C2(C)OCCO2)cc1
InChIInChI=1S/C15H23NO5S/c1-14(2,17)11-16(4)22(18,19)13-7-5-12(6-8-13)15(3)20-9-10-21-15/h5-8,17H,9-11H2,1-4H3
InChIKeyNPRJBHVHALBRCZ-UHFFFAOYSA-N
XLogP1.30
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide (CID 86795558) is N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide is CN(CC(C)(C)O)S(=O)(=O)c1ccc(C2(C)OCCO2)cc1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide?
The InChIKey is NPRJBHVHALBRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5S/c1-14(2,17)11-16(4)22(18,19)13-7-5-12(6-8-13)15(3)20-9-10-21-15/h5-8,17H,9-11H2,1-4H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide?
N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide has a molecular weight of 329.42 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide is sourced from PubChem (CID 86795558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).