3,4-difluoro-N-[3-oxo-3-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]benzenesulfonamide

C23H26F2N2O6S — CID 42281256

IUPAC3,4-difluoro-N-[3-oxo-3-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]benzenesulfonamide
SMILESCOc1cc(OC)c(C2=CCN(C(=O)CCNS(=O)(=O)c3ccc(F)c(F)c3)CC2)c(OC)c1
InChIInChI=1S/C23H26F2N2O6S/c1-31-16-12-20(32-2)23(21(13-16)33-3)15-7-10-27(11-8-15)22(28)6-9-26-34(29,30)17-4-5-18(24)19(25)14-17/h4-5,7,12-14,26H,6,8-11H2,1-3H3
InChIKeyJRIHQAYLADORFV-UHFFFAOYSA-N
MW496.53 g/mol
LogP2.97
Rot. Bonds9

About 3,4-difluoro-N-[3-oxo-3-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]benzenesulfonamide

3,4-difluoro-N-[3-oxo-3-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]benzenesulfonamide (PubChem CID 42281256) has the molecular formula C23H26F2N2O6S and a molecular weight of 496.53 g/mol. Its IUPAC name is 3,4-difluoro-N-[3-oxo-3-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-[3-oxo-3-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]benzenesulfonamide
PubChem CID42281256
Molecular FormulaC23H26F2N2O6S
Molecular Weight496.53 g/mol
Exact Mass496.15
IUPAC Name3,4-difluoro-N-[3-oxo-3-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]benzenesulfonamide
SMILESCOc1cc(OC)c(C2=CCN(C(=O)CCNS(=O)(=O)c3ccc(F)c(F)c3)CC2)c(OC)c1
InChIInChI=1S/C23H26F2N2O6S/c1-31-16-12-20(32-2)23(21(13-16)33-3)15-7-10-27(11-8-15)22(28)6-9-26-34(29,30)17-4-5-18(24)19(25)14-17/h4-5,7,12-14,26H,6,8-11H2,1-3H3
InChIKeyJRIHQAYLADORFV-UHFFFAOYSA-N
XLogP2.97
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.53
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-difluoro-N-[3-[4-(2-methoxyacetyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 55820617
N-[3-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]methanesulfonamide
CID 51083095
3,4-difluoro-N-[3-(4-methyl-1,4-diazepan-1-yl)-3-oxopropyl]benzenesulfonamide
CID 78785614
methyl 2-[3-[(3,4-difluorophenyl)sulfonylamino]propanoyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate
CID 32758663
N-[3-(2,2-dimethylmorpholin-4-yl)-3-oxopropyl]-3,4-difluorobenzenesulfonamide
CID 86981340
(2,5-dichlorophenyl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 33264956
(E)-3-(3,5-dimethoxyphenyl)-1-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one
CID 24583945
4-methoxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 5083215
2-methyl-1-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 17451041
3,4-difluoro-N-[3-oxo-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]benzenesulfonamide
CID 56551060
N-[3-(4-cyanopiperidin-1-yl)-3-oxopropyl]-3,4-difluorobenzenesulfonamide
CID 49063928
3,4-difluoro-N-[3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 24546937

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[3-oxo-3-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-[3-oxo-3-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]benzenesulfonamide (CID 42281256) is 3,4-difluoro-N-[3-oxo-3-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-[3-oxo-3-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-[3-oxo-3-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]benzenesulfonamide is COc1cc(OC)c(C2=CCN(C(=O)CCNS(=O)(=O)c3ccc(F)c(F)c3)CC2)c(OC)c1.
What is the InChIKey of 3,4-difluoro-N-[3-oxo-3-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]benzenesulfonamide?
The InChIKey is JRIHQAYLADORFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N2O6S/c1-31-16-12-20(32-2)23(21(13-16)33-3)15-7-10-27(11-8-15)22(28)6-9-26-34(29,30)17-4-5-18(24)19(25)14-17/h4-5,7,12-14,26H,6,8-11H2,1-3H3.
What are the key properties of 3,4-difluoro-N-[3-oxo-3-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]benzenesulfonamide?
3,4-difluoro-N-[3-oxo-3-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]benzenesulfonamide has a molecular weight of 496.53 g/mol, XLogP of 2.97, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[3-oxo-3-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]benzenesulfonamide is sourced from PubChem (CID 42281256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).