4-(2,2-difluoro-1,3-benzodioxol-4-yl)-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide

C19H18F2N2O5S — CID 172658409

IUPAC4-(2,2-difluoro-1,3-benzodioxol-4-yl)-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
SMILESCN1CC(NS(=O)(=O)c2ccc(-c3cccc4c3OC(F)(F)O4)cc2)CCC1=O
InChIInChI=1S/C19H18F2N2O5S/c1-23-11-13(7-10-17(23)24)22-29(25,26)14-8-5-12(6-9-14)15-3-2-4-16-18(15)28-19(20,21)27-16/h2-6,8-9,13,22H,7,10-11H2,1H3
InChIKeyDXRSYTZNHCXQSK-UHFFFAOYSA-N
MW424.43 g/mol
LogP2.57
Rot. Bonds4

About 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide

4-(2,2-difluoro-1,3-benzodioxol-4-yl)-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide (PubChem CID 172658409) has the molecular formula C19H18F2N2O5S and a molecular weight of 424.43 g/mol. Its IUPAC name is 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2,2-difluoro-1,3-benzodioxol-4-yl)-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
PubChem CID172658409
Molecular FormulaC19H18F2N2O5S
Molecular Weight424.43 g/mol
Exact Mass424.09
IUPAC Name4-(2,2-difluoro-1,3-benzodioxol-4-yl)-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
SMILESCN1CC(NS(=O)(=O)c2ccc(-c3cccc4c3OC(F)(F)O4)cc2)CCC1=O
InChIInChI=1S/C19H18F2N2O5S/c1-23-11-13(7-10-17(23)24)22-29(25,26)14-8-5-12(6-9-14)15-3-2-4-16-18(15)28-19(20,21)27-16/h2-6,8-9,13,22H,7,10-11H2,1H3
InChIKeyDXRSYTZNHCXQSK-UHFFFAOYSA-N
XLogP2.57
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide with MolForge

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Related Compounds

4-hydroxy-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
CID 64670246
4-acetyl-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
CID 64669034
4-amino-3-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
CID 82843888
N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-sulfonamide
CID 131898317
4-cyano-3-methyl-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
CID 106833317
5,6-dichloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-sulfonamide
CID 64669013
2-(ethylamino)-N-(1-methyl-6-oxopiperidin-3-yl)pyrimidine-5-sulfonamide
CID 64669851
N-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 110736572
2-methyl-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-1-benzothiophene-3-sulfonamide
CID 97030606
5-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-1-methylpiperidin-2-one
CID 81140242
5-amino-2-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
CID 64654475
N-(4-oxocyclohexyl)-4-phenylbenzenesulfonamide
CID 67130795

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide?
The IUPAC name of 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide (CID 172658409) is 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide is CN1CC(NS(=O)(=O)c2ccc(-c3cccc4c3OC(F)(F)O4)cc2)CCC1=O.
What is the InChIKey of 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide?
The InChIKey is DXRSYTZNHCXQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O5S/c1-23-11-13(7-10-17(23)24)22-29(25,26)14-8-5-12(6-9-14)15-3-2-4-16-18(15)28-19(20,21)27-16/h2-6,8-9,13,22H,7,10-11H2,1H3.
What are the key properties of 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide?
4-(2,2-difluoro-1,3-benzodioxol-4-yl)-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide has a molecular weight of 424.43 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 172658409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).