N-(1,3-dioxolan-2-ylmethyl)-N-methyl-4-phenylbenzenesulfonamide

C17H19NO4S — CID 3688455

IUPACN-(1,3-dioxolan-2-ylmethyl)-N-methyl-4-phenylbenzenesulfonamide
SMILESCN(CC1OCCO1)S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H19NO4S/c1-18(13-17-21-11-12-22-17)23(19,20)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3
InChIKeyGEZJRUQFQZIFPO-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.35
Rot. Bonds5

About N-(1,3-dioxolan-2-ylmethyl)-N-methyl-4-phenylbenzenesulfonamide

N-(1,3-dioxolan-2-ylmethyl)-N-methyl-4-phenylbenzenesulfonamide (PubChem CID 3688455) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-(1,3-dioxolan-2-ylmethyl)-N-methyl-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-dioxolan-2-ylmethyl)-N-methyl-4-phenylbenzenesulfonamide
PubChem CID3688455
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC NameN-(1,3-dioxolan-2-ylmethyl)-N-methyl-4-phenylbenzenesulfonamide
SMILESCN(CC1OCCO1)S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H19NO4S/c1-18(13-17-21-11-12-22-17)23(19,20)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3
InChIKeyGEZJRUQFQZIFPO-UHFFFAOYSA-N
XLogP2.35
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxolan-2-ylmethyl)-N-methyl-4-phenylbenzenesulfonamide?
The IUPAC name of N-(1,3-dioxolan-2-ylmethyl)-N-methyl-4-phenylbenzenesulfonamide (CID 3688455) is N-(1,3-dioxolan-2-ylmethyl)-N-methyl-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-(1,3-dioxolan-2-ylmethyl)-N-methyl-4-phenylbenzenesulfonamide?
The canonical SMILES for N-(1,3-dioxolan-2-ylmethyl)-N-methyl-4-phenylbenzenesulfonamide is CN(CC1OCCO1)S(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(1,3-dioxolan-2-ylmethyl)-N-methyl-4-phenylbenzenesulfonamide?
The InChIKey is GEZJRUQFQZIFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-18(13-17-21-11-12-22-17)23(19,20)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3.
What are the key properties of N-(1,3-dioxolan-2-ylmethyl)-N-methyl-4-phenylbenzenesulfonamide?
N-(1,3-dioxolan-2-ylmethyl)-N-methyl-4-phenylbenzenesulfonamide has a molecular weight of 333.41 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxolan-2-ylmethyl)-N-methyl-4-phenylbenzenesulfonamide is sourced from PubChem (CID 3688455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).