4-cyano-2,6-difluoro-N-(1-methylsulfonylpiperidin-3-yl)benzamide

C14H15F2N3O3S — CID 136513861

IUPAC4-cyano-2,6-difluoro-N-(1-methylsulfonylpiperidin-3-yl)benzamide
SMILESCS(=O)(=O)N1CCCC(NC(=O)c2c(F)cc(C#N)cc2F)C1
InChIInChI=1S/C14H15F2N3O3S/c1-23(21,22)19-4-2-3-10(8-19)18-14(20)13-11(15)5-9(7-17)6-12(13)16/h5-6,10H,2-4,8H2,1H3,(H,18,20)
InChIKeyDPOJRVMSGWJBEY-UHFFFAOYSA-N
MW343.36 g/mol
LogP0.99
Rot. Bonds3

About 4-cyano-2,6-difluoro-N-(1-methylsulfonylpiperidin-3-yl)benzamide

4-cyano-2,6-difluoro-N-(1-methylsulfonylpiperidin-3-yl)benzamide (PubChem CID 136513861) has the molecular formula C14H15F2N3O3S and a molecular weight of 343.36 g/mol. Its IUPAC name is 4-cyano-2,6-difluoro-N-(1-methylsulfonylpiperidin-3-yl)benzamide.

Molecular Properties

Compound Name4-cyano-2,6-difluoro-N-(1-methylsulfonylpiperidin-3-yl)benzamide
PubChem CID136513861
Molecular FormulaC14H15F2N3O3S
Molecular Weight343.36 g/mol
Exact Mass343.08
IUPAC Name4-cyano-2,6-difluoro-N-(1-methylsulfonylpiperidin-3-yl)benzamide
SMILESCS(=O)(=O)N1CCCC(NC(=O)c2c(F)cc(C#N)cc2F)C1
InChIInChI=1S/C14H15F2N3O3S/c1-23(21,22)19-4-2-3-10(8-19)18-14(20)13-11(15)5-9(7-17)6-12(13)16/h5-6,10H,2-4,8H2,1H3,(H,18,20)
InChIKeyDPOJRVMSGWJBEY-UHFFFAOYSA-N
XLogP0.99
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-fluoro-N-(1-methylsulfonylpiperidin-3-yl)benzamide
CID 47909698
4-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]benzoic acid
CID 119182615
4-methyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide
CID 47910179
5-bromo-N-(1-methylsulfonylpiperidin-3-yl)thiophene-2-carboxamide
CID 47909931
5-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]thiophene-2-carboxylic acid
CID 119182612
1-cyclopropyl-3-[(3R)-1-methylsulfonylpiperidin-3-yl]urea
CID 94211342
3-fluoro-4-[(1-methylsulfonylpiperidin-3-yl)methoxy]benzonitrile
CID 103793518
2,4,5-trifluoro-N-(1-methylsulfonylpiperidin-3-yl)benzenesulfonamide
CID 136573940
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 118206589
2,3-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide
CID 47910133
N-(1-methylsulfonylpiperidin-3-yl)thiadiazole-4-carboxamide
CID 47403736
1-cyclohexyl-2,5-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)pyrrole-3-carboxamide
CID 47909167

Frequently Asked Questions

What is the IUPAC name of 4-cyano-2,6-difluoro-N-(1-methylsulfonylpiperidin-3-yl)benzamide?
The IUPAC name of 4-cyano-2,6-difluoro-N-(1-methylsulfonylpiperidin-3-yl)benzamide (CID 136513861) is 4-cyano-2,6-difluoro-N-(1-methylsulfonylpiperidin-3-yl)benzamide.
What is the SMILES notation for 4-cyano-2,6-difluoro-N-(1-methylsulfonylpiperidin-3-yl)benzamide?
The canonical SMILES for 4-cyano-2,6-difluoro-N-(1-methylsulfonylpiperidin-3-yl)benzamide is CS(=O)(=O)N1CCCC(NC(=O)c2c(F)cc(C#N)cc2F)C1.
What is the InChIKey of 4-cyano-2,6-difluoro-N-(1-methylsulfonylpiperidin-3-yl)benzamide?
The InChIKey is DPOJRVMSGWJBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O3S/c1-23(21,22)19-4-2-3-10(8-19)18-14(20)13-11(15)5-9(7-17)6-12(13)16/h5-6,10H,2-4,8H2,1H3,(H,18,20).
What are the key properties of 4-cyano-2,6-difluoro-N-(1-methylsulfonylpiperidin-3-yl)benzamide?
4-cyano-2,6-difluoro-N-(1-methylsulfonylpiperidin-3-yl)benzamide has a molecular weight of 343.36 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-2,6-difluoro-N-(1-methylsulfonylpiperidin-3-yl)benzamide is sourced from PubChem (CID 136513861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).