N-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]sulfonylacetamide

C19H16ClN3O3S — CID 162662860

IUPACN-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C19H16ClN3O3S/c1-12(24)23-27(25,26)17-8-4-13(5-9-17)15-10-18(19(21)22-11-15)14-2-6-16(20)7-3-14/h2-11H,1H3,(H2,21,22)(H,23,24)
InChIKeyNLOJGMLISFTFPH-UHFFFAOYSA-N
MW401.88 g/mol
LogP3.48
Rot. Bonds4

About N-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]sulfonylacetamide

N-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]sulfonylacetamide (PubChem CID 162662860) has the molecular formula C19H16ClN3O3S and a molecular weight of 401.88 g/mol. Its IUPAC name is N-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]sulfonylacetamide.

Molecular Properties

Compound NameN-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]sulfonylacetamide
PubChem CID162662860
Molecular FormulaC19H16ClN3O3S
Molecular Weight401.88 g/mol
Exact Mass401.06
IUPAC NameN-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C19H16ClN3O3S/c1-12(24)23-27(25,26)17-8-4-13(5-9-17)15-10-18(19(21)22-11-15)14-2-6-16(20)7-3-14/h2-11H,1H3,(H2,21,22)(H,23,24)
InChIKeyNLOJGMLISFTFPH-UHFFFAOYSA-N
XLogP3.48
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.88
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]sulfonylacetamide?
The IUPAC name of N-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]sulfonylacetamide (CID 162662860) is N-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]sulfonylacetamide.
What is the SMILES notation for N-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]sulfonylacetamide?
The canonical SMILES for N-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]sulfonylacetamide is CC(=O)NS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(Cl)cc3)c2)cc1.
What is the InChIKey of N-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]sulfonylacetamide?
The InChIKey is NLOJGMLISFTFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3S/c1-12(24)23-27(25,26)17-8-4-13(5-9-17)15-10-18(19(21)22-11-15)14-2-6-16(20)7-3-14/h2-11H,1H3,(H2,21,22)(H,23,24).
What are the key properties of N-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]sulfonylacetamide?
N-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]sulfonylacetamide has a molecular weight of 401.88 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]sulfonylacetamide is sourced from PubChem (CID 162662860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).