N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-1,3-benzodioxole-5-sulfonamide

C14H14N2O5S — CID 110730602

IUPACN-[(1-methyl-6-oxo-3-pyridinyl)methyl]-1,3-benzodioxole-5-sulfonamide
SMILESCn1cc(CNS(=O)(=O)c2ccc3c(c2)OCO3)ccc1=O
InChIInChI=1S/C14H14N2O5S/c1-16-8-10(2-5-14(16)17)7-15-22(18,19)11-3-4-12-13(6-11)21-9-20-12/h2-6,8,15H,7,9H2,1H3
InChIKeyNVIHEOQTBXXAEP-UHFFFAOYSA-N
MW322.34 g/mol
LogP0.59
Rot. Bonds4

About N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-1,3-benzodioxole-5-sulfonamide

N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-1,3-benzodioxole-5-sulfonamide (PubChem CID 110730602) has the molecular formula C14H14N2O5S and a molecular weight of 322.34 g/mol. Its IUPAC name is N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-1,3-benzodioxole-5-sulfonamide.

Molecular Properties

Compound NameN-[(1-methyl-6-oxo-3-pyridinyl)methyl]-1,3-benzodioxole-5-sulfonamide
PubChem CID110730602
Molecular FormulaC14H14N2O5S
Molecular Weight322.34 g/mol
Exact Mass322.06
IUPAC NameN-[(1-methyl-6-oxo-3-pyridinyl)methyl]-1,3-benzodioxole-5-sulfonamide
SMILESCn1cc(CNS(=O)(=O)c2ccc3c(c2)OCO3)ccc1=O
InChIInChI=1S/C14H14N2O5S/c1-16-8-10(2-5-14(16)17)7-15-22(18,19)11-3-4-12-13(6-11)21-9-20-12/h2-6,8,15H,7,9H2,1H3
InChIKeyNVIHEOQTBXXAEP-UHFFFAOYSA-N
XLogP0.59
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-ethylphenyl)methyl]-1,3-benzodioxole-5-sulfonamide
CID 110779544
N-[(4-aminophenyl)methyl]-1,3-benzodioxole-5-sulfonamide
CID 39439652
N-[(3,4-difluorophenyl)methyl]-1,3-benzodioxole-5-sulfonamide
CID 110781069
N-(1,3-benzodioxol-5-ylmethyl)-4-ethylbenzenesulfonamide
CID 3751192
N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-4-propan-2-ylbenzenesulfonamide
CID 110730591
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,3-benzodioxole-5-sulfonamide
CID 110787123
5-(1,3-benzodioxol-5-ylmethylamino)-1-methylpyridin-2-one
CID 54866066
N-[(3-fluoro-4-methoxyphenyl)methyl]-1,3-benzodioxole-5-sulfonamide
CID 110780040
N-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 801583
N-(1,3-benzodioxol-5-ylmethyl)-4-chlorobenzenesulfonamide
CID 825686
N-(1,3-benzodioxol-5-ylmethyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 25048579
4-N-(1,3-benzodioxol-5-ylmethyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-disulfonamide
CID 1442161

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-1,3-benzodioxole-5-sulfonamide?
The IUPAC name of N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-1,3-benzodioxole-5-sulfonamide (CID 110730602) is N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-1,3-benzodioxole-5-sulfonamide.
What is the SMILES notation for N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-1,3-benzodioxole-5-sulfonamide?
The canonical SMILES for N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-1,3-benzodioxole-5-sulfonamide is Cn1cc(CNS(=O)(=O)c2ccc3c(c2)OCO3)ccc1=O.
What is the InChIKey of N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-1,3-benzodioxole-5-sulfonamide?
The InChIKey is NVIHEOQTBXXAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5S/c1-16-8-10(2-5-14(16)17)7-15-22(18,19)11-3-4-12-13(6-11)21-9-20-12/h2-6,8,15H,7,9H2,1H3.
What are the key properties of N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-1,3-benzodioxole-5-sulfonamide?
N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-1,3-benzodioxole-5-sulfonamide has a molecular weight of 322.34 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-1,3-benzodioxole-5-sulfonamide is sourced from PubChem (CID 110730602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).