4-fluoro-N-(2-methoxy-4-piperidin-1-ylsulfonylphenyl)benzamide

C19H21FN2O4S — CID 1078655

IUPAC4-fluoro-N-(2-methoxy-4-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCOc1cc(S(=O)(=O)N2CCCCC2)ccc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O4S/c1-26-18-13-16(27(24,25)22-11-3-2-4-12-22)9-10-17(18)21-19(23)14-5-7-15(20)8-6-14/h5-10,13H,2-4,11-12H2,1H3,(H,21,23)
InChIKeyUKOXSAQDNVJZPW-UHFFFAOYSA-N
MW392.45 g/mol
LogP3.26
Rot. Bonds5

About 4-fluoro-N-(2-methoxy-4-piperidin-1-ylsulfonylphenyl)benzamide

4-fluoro-N-(2-methoxy-4-piperidin-1-ylsulfonylphenyl)benzamide (PubChem CID 1078655) has the molecular formula C19H21FN2O4S and a molecular weight of 392.45 g/mol. Its IUPAC name is 4-fluoro-N-(2-methoxy-4-piperidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(2-methoxy-4-piperidin-1-ylsulfonylphenyl)benzamide
PubChem CID1078655
Molecular FormulaC19H21FN2O4S
Molecular Weight392.45 g/mol
Exact Mass392.12
IUPAC Name4-fluoro-N-(2-methoxy-4-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCOc1cc(S(=O)(=O)N2CCCCC2)ccc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O4S/c1-26-18-13-16(27(24,25)22-11-3-2-4-12-22)9-10-17(18)21-19(23)14-5-7-15(20)8-6-14/h5-10,13H,2-4,11-12H2,1H3,(H,21,23)
InChIKeyUKOXSAQDNVJZPW-UHFFFAOYSA-N
XLogP3.26
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-methoxy-4-piperidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 4-fluoro-N-(2-methoxy-4-piperidin-1-ylsulfonylphenyl)benzamide (CID 1078655) is 4-fluoro-N-(2-methoxy-4-piperidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(2-methoxy-4-piperidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 4-fluoro-N-(2-methoxy-4-piperidin-1-ylsulfonylphenyl)benzamide is COc1cc(S(=O)(=O)N2CCCCC2)ccc1NC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(2-methoxy-4-piperidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is UKOXSAQDNVJZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4S/c1-26-18-13-16(27(24,25)22-11-3-2-4-12-22)9-10-17(18)21-19(23)14-5-7-15(20)8-6-14/h5-10,13H,2-4,11-12H2,1H3,(H,21,23).
What are the key properties of 4-fluoro-N-(2-methoxy-4-piperidin-1-ylsulfonylphenyl)benzamide?
4-fluoro-N-(2-methoxy-4-piperidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 392.45 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-methoxy-4-piperidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 1078655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).