N-(5-chloro-2-fluorophenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide

C19H21ClFN3O3S — CID 39912349

IUPACN-(5-chloro-2-fluorophenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
SMILESO=C(CNc1cccc(S(=O)(=O)N2CCCCC2)c1)Nc1cc(Cl)ccc1F
InChIInChI=1S/C19H21ClFN3O3S/c20-14-7-8-17(21)18(11-14)23-19(25)13-22-15-5-4-6-16(12-15)28(26,27)24-9-2-1-3-10-24/h4-8,11-12,22H,1-3,9-10,13H2,(H,23,25)
InChIKeyYDOULWLYSKQVKR-UHFFFAOYSA-N
MW425.91 g/mol
LogP3.70
Rot. Bonds6

About N-(5-chloro-2-fluorophenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide

N-(5-chloro-2-fluorophenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide (PubChem CID 39912349) has the molecular formula C19H21ClFN3O3S and a molecular weight of 425.91 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
PubChem CID39912349
Molecular FormulaC19H21ClFN3O3S
Molecular Weight425.91 g/mol
Exact Mass425.10
IUPAC NameN-(5-chloro-2-fluorophenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
SMILESO=C(CNc1cccc(S(=O)(=O)N2CCCCC2)c1)Nc1cc(Cl)ccc1F
InChIInChI=1S/C19H21ClFN3O3S/c20-14-7-8-17(21)18(11-14)23-19(25)13-22-15-5-4-6-16(12-15)28(26,27)24-9-2-1-3-10-24/h4-8,11-12,22H,1-3,9-10,13H2,(H,23,25)
InChIKeyYDOULWLYSKQVKR-UHFFFAOYSA-N
XLogP3.70
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.91
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide (CID 39912349) is N-(5-chloro-2-fluorophenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide is O=C(CNc1cccc(S(=O)(=O)N2CCCCC2)c1)Nc1cc(Cl)ccc1F.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide?
The InChIKey is YDOULWLYSKQVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O3S/c20-14-7-8-17(21)18(11-14)23-19(25)13-22-15-5-4-6-16(12-15)28(26,27)24-9-2-1-3-10-24/h4-8,11-12,22H,1-3,9-10,13H2,(H,23,25).
What are the key properties of N-(5-chloro-2-fluorophenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide?
N-(5-chloro-2-fluorophenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide has a molecular weight of 425.91 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-fluorophenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide is sourced from PubChem (CID 39912349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).