4-chloro-N-(2,2-difluoroethoxy)-3-piperidin-1-ylsulfonylbenzamide

C14H17ClF2N2O4S — CID 75456902

IUPAC4-chloro-N-(2,2-difluoroethoxy)-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NOCC(F)F)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C14H17ClF2N2O4S/c15-11-5-4-10(14(20)18-23-9-13(16)17)8-12(11)24(21,22)19-6-2-1-3-7-19/h4-5,8,13H,1-3,6-7,9H2,(H,18,20)
InChIKeyILQFOASDIHOQFH-UHFFFAOYSA-N
MW382.82 g/mol
LogP2.44
Rot. Bonds6

About 4-chloro-N-(2,2-difluoroethoxy)-3-piperidin-1-ylsulfonylbenzamide

4-chloro-N-(2,2-difluoroethoxy)-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 75456902) has the molecular formula C14H17ClF2N2O4S and a molecular weight of 382.82 g/mol. Its IUPAC name is 4-chloro-N-(2,2-difluoroethoxy)-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(2,2-difluoroethoxy)-3-piperidin-1-ylsulfonylbenzamide
PubChem CID75456902
Molecular FormulaC14H17ClF2N2O4S
Molecular Weight382.82 g/mol
Exact Mass382.06
IUPAC Name4-chloro-N-(2,2-difluoroethoxy)-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NOCC(F)F)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C14H17ClF2N2O4S/c15-11-5-4-10(14(20)18-23-9-13(16)17)8-12(11)24(21,22)19-6-2-1-3-7-19/h4-5,8,13H,1-3,6-7,9H2,(H,18,20)
InChIKeyILQFOASDIHOQFH-UHFFFAOYSA-N
XLogP2.44
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.82
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide
CID 4806697
N-ethoxy-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 18169006
4-chloro-N-(1-methoxypropan-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 18166551
3-(azepan-1-ylsulfonyl)-4-chloro-N-(cyclopentylmethyl)benzamide
CID 39212135
N-(4-acetamidophenyl)-4-chloro-3-piperidin-1-ylsulfonylbenzamide
CID 2583012
3-(azepan-1-ylsulfonyl)-4-chloro-N-cyclohexylbenzamide
CID 1216844
4-chloro-N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide
CID 1068470
4-chloro-N-(2-piperidin-1-ylethyl)-3-piperidin-1-ylsulfonylbenzamide
CID 55723998
4-chloro-N-[(2S)-3-methylbutan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 8923234
3-(azepan-1-ylsulfonyl)-4-chloro-N-[(4-chlorophenyl)methyl]benzamide
CID 5155963
N'-benzoyl-4-chloro-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 2543514
4-chloro-N-(4-fluorophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2704875

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,2-difluoroethoxy)-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-(2,2-difluoroethoxy)-3-piperidin-1-ylsulfonylbenzamide (CID 75456902) is 4-chloro-N-(2,2-difluoroethoxy)-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-(2,2-difluoroethoxy)-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-(2,2-difluoroethoxy)-3-piperidin-1-ylsulfonylbenzamide is O=C(NOCC(F)F)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 4-chloro-N-(2,2-difluoroethoxy)-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is ILQFOASDIHOQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF2N2O4S/c15-11-5-4-10(14(20)18-23-9-13(16)17)8-12(11)24(21,22)19-6-2-1-3-7-19/h4-5,8,13H,1-3,6-7,9H2,(H,18,20).
What are the key properties of 4-chloro-N-(2,2-difluoroethoxy)-3-piperidin-1-ylsulfonylbenzamide?
4-chloro-N-(2,2-difluoroethoxy)-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 382.82 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,2-difluoroethoxy)-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 75456902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).