N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-benzofuran-2-sulfonamide

C16H22N2O4S — CID 91661760

IUPACN-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-benzofuran-2-sulfonamide
SMILESCC1(C)CN(CCNS(=O)(=O)c2cc3ccccc3o2)CCO1
InChIInChI=1S/C16H22N2O4S/c1-16(2)12-18(9-10-21-16)8-7-17-23(19,20)15-11-13-5-3-4-6-14(13)22-15/h3-6,11,17H,7-10,12H2,1-2H3
InChIKeyYIUVVCKMXDTEQD-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.82
Rot. Bonds5

About N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-benzofuran-2-sulfonamide

N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-benzofuran-2-sulfonamide (PubChem CID 91661760) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-benzofuran-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-benzofuran-2-sulfonamide
PubChem CID91661760
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC NameN-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-benzofuran-2-sulfonamide
SMILESCC1(C)CN(CCNS(=O)(=O)c2cc3ccccc3o2)CCO1
InChIInChI=1S/C16H22N2O4S/c1-16(2)12-18(9-10-21-16)8-7-17-23(19,20)15-11-13-5-3-4-6-14(13)22-15/h3-6,11,17H,7-10,12H2,1-2H3
InChIKeyYIUVVCKMXDTEQD-UHFFFAOYSA-N
XLogP1.82
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-benzofuran-2-sulfonamide?
The IUPAC name of N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-benzofuran-2-sulfonamide (CID 91661760) is N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-benzofuran-2-sulfonamide.
What is the SMILES notation for N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-benzofuran-2-sulfonamide?
The canonical SMILES for N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-benzofuran-2-sulfonamide is CC1(C)CN(CCNS(=O)(=O)c2cc3ccccc3o2)CCO1.
What is the InChIKey of N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-benzofuran-2-sulfonamide?
The InChIKey is YIUVVCKMXDTEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-16(2)12-18(9-10-21-16)8-7-17-23(19,20)15-11-13-5-3-4-6-14(13)22-15/h3-6,11,17H,7-10,12H2,1-2H3.
What are the key properties of N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-benzofuran-2-sulfonamide?
N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-benzofuran-2-sulfonamide has a molecular weight of 338.43 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-benzofuran-2-sulfonamide is sourced from PubChem (CID 91661760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).