N-(3-chloro-4-fluorophenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide

C19H21ClFN3O3S — CID 26417657

IUPACN-(3-chloro-4-fluorophenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
SMILESO=C(CNc1cccc(S(=O)(=O)N2CCCCC2)c1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C19H21ClFN3O3S/c20-17-12-15(7-8-18(17)21)23-19(25)13-22-14-5-4-6-16(11-14)28(26,27)24-9-2-1-3-10-24/h4-8,11-12,22H,1-3,9-10,13H2,(H,23,25)
InChIKeyLVDZLPXOEZAOGV-UHFFFAOYSA-N
MW425.91 g/mol
LogP3.70
Rot. Bonds6

About N-(3-chloro-4-fluorophenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide

N-(3-chloro-4-fluorophenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide (PubChem CID 26417657) has the molecular formula C19H21ClFN3O3S and a molecular weight of 425.91 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
PubChem CID26417657
Molecular FormulaC19H21ClFN3O3S
Molecular Weight425.91 g/mol
Exact Mass425.10
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
SMILESO=C(CNc1cccc(S(=O)(=O)N2CCCCC2)c1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C19H21ClFN3O3S/c20-17-12-15(7-8-18(17)21)23-19(25)13-22-14-5-4-6-16(11-14)28(26,27)24-9-2-1-3-10-24/h4-8,11-12,22H,1-3,9-10,13H2,(H,23,25)
InChIKeyLVDZLPXOEZAOGV-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-(3-chloro-4-fluorophenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide (CID 26417657) is N-(3-chloro-4-fluorophenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide is O=C(CNc1cccc(S(=O)(=O)N2CCCCC2)c1)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide?
The InChIKey is LVDZLPXOEZAOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O3S/c20-17-12-15(7-8-18(17)21)23-19(25)13-22-14-5-4-6-16(11-14)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-(3-chloro-4-fluorophenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide?
N-(3-chloro-4-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-(3-chloro-4-fluorophenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide is sourced from PubChem (CID 26417657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).