6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-N,N-dimethylpyridine-3-sulfonamide

C18H23N3O3S — CID 126795085

IUPAC6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-N,N-dimethylpyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NCc2cccc3c2OC(C)(C)C3)nc1
InChIInChI=1S/C18H23N3O3S/c1-18(2)10-13-6-5-7-14(17(13)24-18)11-19-16-9-8-15(12-20-16)25(22,23)21(3)4/h5-9,12H,10-11H2,1-4H3,(H,19,20)
InChIKeyISBZVFIXYSKDOA-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.66
Rot. Bonds5

About 6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-N,N-dimethylpyridine-3-sulfonamide

6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-N,N-dimethylpyridine-3-sulfonamide (PubChem CID 126795085) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-N,N-dimethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-N,N-dimethylpyridine-3-sulfonamide
PubChem CID126795085
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-N,N-dimethylpyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NCc2cccc3c2OC(C)(C)C3)nc1
InChIInChI=1S/C18H23N3O3S/c1-18(2)10-13-6-5-7-14(17(13)24-18)11-19-16-9-8-15(12-20-16)25(22,23)21(3)4/h5-9,12H,10-11H2,1-4H3,(H,19,20)
InChIKeyISBZVFIXYSKDOA-UHFFFAOYSA-N
XLogP2.66
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-N,N-dimethylpyridine-3-sulfonamide?
The IUPAC name of 6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-N,N-dimethylpyridine-3-sulfonamide (CID 126795085) is 6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-N,N-dimethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-N,N-dimethylpyridine-3-sulfonamide?
The canonical SMILES for 6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-N,N-dimethylpyridine-3-sulfonamide is CN(C)S(=O)(=O)c1ccc(NCc2cccc3c2OC(C)(C)C3)nc1.
What is the InChIKey of 6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-N,N-dimethylpyridine-3-sulfonamide?
The InChIKey is ISBZVFIXYSKDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-18(2)10-13-6-5-7-14(17(13)24-18)11-19-16-9-8-15(12-20-16)25(22,23)21(3)4/h5-9,12H,10-11H2,1-4H3,(H,19,20).
What are the key properties of 6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-N,N-dimethylpyridine-3-sulfonamide?
6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-N,N-dimethylpyridine-3-sulfonamide has a molecular weight of 361.47 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-N,N-dimethylpyridine-3-sulfonamide is sourced from PubChem (CID 126795085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).