5-chloro-2-[(4,4-difluoropiperidin-1-yl)sulfonylamino]benzamide

C12H14ClF2N3O3S — CID 167750162

IUPAC5-chloro-2-[(4,4-difluoropiperidin-1-yl)sulfonylamino]benzamide
SMILESNC(=O)c1cc(Cl)ccc1NS(=O)(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C12H14ClF2N3O3S/c13-8-1-2-10(9(7-8)11(16)19)17-22(20,21)18-5-3-12(14,15)4-6-18/h1-2,7,17H,3-6H2,(H2,16,19)
InChIKeyCVXUBICSCYJVEL-UHFFFAOYSA-N
MW353.78 g/mol
LogP1.83
Rot. Bonds4

About 5-chloro-2-[(4,4-difluoropiperidin-1-yl)sulfonylamino]benzamide

5-chloro-2-[(4,4-difluoropiperidin-1-yl)sulfonylamino]benzamide (PubChem CID 167750162) has the molecular formula C12H14ClF2N3O3S and a molecular weight of 353.78 g/mol. Its IUPAC name is 5-chloro-2-[(4,4-difluoropiperidin-1-yl)sulfonylamino]benzamide.

Molecular Properties

Compound Name5-chloro-2-[(4,4-difluoropiperidin-1-yl)sulfonylamino]benzamide
PubChem CID167750162
Molecular FormulaC12H14ClF2N3O3S
Molecular Weight353.78 g/mol
Exact Mass353.04
IUPAC Name5-chloro-2-[(4,4-difluoropiperidin-1-yl)sulfonylamino]benzamide
SMILESNC(=O)c1cc(Cl)ccc1NS(=O)(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C12H14ClF2N3O3S/c13-8-1-2-10(9(7-8)11(16)19)17-22(20,21)18-5-3-12(14,15)4-6-18/h1-2,7,17H,3-6H2,(H2,16,19)
InChIKeyCVXUBICSCYJVEL-UHFFFAOYSA-N
XLogP1.83
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.78
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(4,4-difluoropiperidin-1-yl)sulfonylamino]benzamide?
The IUPAC name of 5-chloro-2-[(4,4-difluoropiperidin-1-yl)sulfonylamino]benzamide (CID 167750162) is 5-chloro-2-[(4,4-difluoropiperidin-1-yl)sulfonylamino]benzamide.
What is the SMILES notation for 5-chloro-2-[(4,4-difluoropiperidin-1-yl)sulfonylamino]benzamide?
The canonical SMILES for 5-chloro-2-[(4,4-difluoropiperidin-1-yl)sulfonylamino]benzamide is NC(=O)c1cc(Cl)ccc1NS(=O)(=O)N1CCC(F)(F)CC1.
What is the InChIKey of 5-chloro-2-[(4,4-difluoropiperidin-1-yl)sulfonylamino]benzamide?
The InChIKey is CVXUBICSCYJVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF2N3O3S/c13-8-1-2-10(9(7-8)11(16)19)17-22(20,21)18-5-3-12(14,15)4-6-18/h1-2,7,17H,3-6H2,(H2,16,19).
What are the key properties of 5-chloro-2-[(4,4-difluoropiperidin-1-yl)sulfonylamino]benzamide?
5-chloro-2-[(4,4-difluoropiperidin-1-yl)sulfonylamino]benzamide has a molecular weight of 353.78 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(4,4-difluoropiperidin-1-yl)sulfonylamino]benzamide is sourced from PubChem (CID 167750162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).