N-(1,3-dioxolan-2-ylmethyl)-4-ethyl-N-methylbenzenesulfonamide

C13H19NO4S — CID 3572681

IUPACN-(1,3-dioxolan-2-ylmethyl)-4-ethyl-N-methylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N(C)CC2OCCO2)cc1
InChIInChI=1S/C13H19NO4S/c1-3-11-4-6-12(7-5-11)19(15,16)14(2)10-13-17-8-9-18-13/h4-7,13H,3,8-10H2,1-2H3
InChIKeyVDMKKJJXBKSKAI-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.24
Rot. Bonds5

About N-(1,3-dioxolan-2-ylmethyl)-4-ethyl-N-methylbenzenesulfonamide

N-(1,3-dioxolan-2-ylmethyl)-4-ethyl-N-methylbenzenesulfonamide (PubChem CID 3572681) has the molecular formula C13H19NO4S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-(1,3-dioxolan-2-ylmethyl)-4-ethyl-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-dioxolan-2-ylmethyl)-4-ethyl-N-methylbenzenesulfonamide
PubChem CID3572681
Molecular FormulaC13H19NO4S
Molecular Weight285.37 g/mol
Exact Mass285.10
IUPAC NameN-(1,3-dioxolan-2-ylmethyl)-4-ethyl-N-methylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N(C)CC2OCCO2)cc1
InChIInChI=1S/C13H19NO4S/c1-3-11-4-6-12(7-5-11)19(15,16)14(2)10-13-17-8-9-18-13/h4-7,13H,3,8-10H2,1-2H3
InChIKeyVDMKKJJXBKSKAI-UHFFFAOYSA-N
XLogP1.24
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.24
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)-4-ethyl-N-methylbenzenesulfonamide?
The IUPAC name of N-(1,3-dioxolan-2-ylmethyl)-4-ethyl-N-methylbenzenesulfonamide (CID 3572681) is N-(1,3-dioxolan-2-ylmethyl)-4-ethyl-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(1,3-dioxolan-2-ylmethyl)-4-ethyl-N-methylbenzenesulfonamide?
The canonical SMILES for N-(1,3-dioxolan-2-ylmethyl)-4-ethyl-N-methylbenzenesulfonamide is CCc1ccc(S(=O)(=O)N(C)CC2OCCO2)cc1.
What is the InChIKey of N-(1,3-dioxolan-2-ylmethyl)-4-ethyl-N-methylbenzenesulfonamide?
The InChIKey is VDMKKJJXBKSKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-3-11-4-6-12(7-5-11)19(15,16)14(2)10-13-17-8-9-18-13/h4-7,13H,3,8-10H2,1-2H3.
What are the key properties of N-(1,3-dioxolan-2-ylmethyl)-4-ethyl-N-methylbenzenesulfonamide?
N-(1,3-dioxolan-2-ylmethyl)-4-ethyl-N-methylbenzenesulfonamide has a molecular weight of 285.37 g/mol, XLogP of 1.24, 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)-4-ethyl-N-methylbenzenesulfonamide is sourced from PubChem (CID 3572681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).