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LZVUBQQLYBKXMA-UHFFFAOYSA-N

C20H15Cl2F2N3O3S — CID 143262651

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-chloro-3-[[4-chloro-3-(1,1-difluoroethyl)phenyl]sulfonylamino]-N-phenylpyridine-2-carboxamide
SMILESCC(F)(F)c1cc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)Nc2ccccc2)ccc1Cl
InChIInChI=1S/C20H15Cl2F2N3O3S/c1-20(23,24)15-10-14(7-8-16(15)22)31(29,30)27-17-9-12(21)11-25-18(17)19(28)26-13-5-3-2-4-6-13/h2-11,27H,1H3,(H,26,28)
InChIKeyLZVUBQQLYBKXMA-UHFFFAOYSA-N
MW486.33 g/mol
LogP5.55
Rot. Bonds6

About LZVUBQQLYBKXMA-UHFFFAOYSA-N

LZVUBQQLYBKXMA-UHFFFAOYSA-N (PubChem CID 143262651) has the molecular formula C20H15Cl2F2N3O3S and a molecular weight of 486.33 g/mol. Its IUPAC name is 5-chloro-3-[[4-chloro-3-(1,1-difluoroethyl)phenyl]sulfonylamino]-N-phenylpyridine-2-carboxamide.

Molecular Properties

Compound NameLZVUBQQLYBKXMA-UHFFFAOYSA-N
PubChem CID143262651
Molecular FormulaC20H15Cl2F2N3O3S
Molecular Weight486.33 g/mol
Exact Mass485.02
IUPAC Name5-chloro-3-[[4-chloro-3-(1,1-difluoroethyl)phenyl]sulfonylamino]-N-phenylpyridine-2-carboxamide
SMILESCC(F)(F)c1cc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)Nc2ccccc2)ccc1Cl
InChIInChI=1S/C20H15Cl2F2N3O3S/c1-20(23,24)15-10-14(7-8-16(15)22)31(29,30)27-17-9-12(21)11-25-18(17)19(28)26-13-5-3-2-4-6-13/h2-11,27H,1H3,(H,26,28)
InChIKeyLZVUBQQLYBKXMA-UHFFFAOYSA-N
XLogP5.55
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.33
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of LZVUBQQLYBKXMA-UHFFFAOYSA-N?
The IUPAC name of LZVUBQQLYBKXMA-UHFFFAOYSA-N (CID 143262651) is 5-chloro-3-[[4-chloro-3-(1,1-difluoroethyl)phenyl]sulfonylamino]-N-phenylpyridine-2-carboxamide.
What is the SMILES notation for LZVUBQQLYBKXMA-UHFFFAOYSA-N?
The canonical SMILES for LZVUBQQLYBKXMA-UHFFFAOYSA-N is CC(F)(F)c1cc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)Nc2ccccc2)ccc1Cl.
What is the InChIKey of LZVUBQQLYBKXMA-UHFFFAOYSA-N?
The InChIKey is LZVUBQQLYBKXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2F2N3O3S/c1-20(23,24)15-10-14(7-8-16(15)22)31(29,30)27-17-9-12(21)11-25-18(17)19(28)26-13-5-3-2-4-6-13/h2-11,27H,1H3,(H,26,28).
What are the key properties of LZVUBQQLYBKXMA-UHFFFAOYSA-N?
LZVUBQQLYBKXMA-UHFFFAOYSA-N has a molecular weight of 486.33 g/mol, XLogP of 5.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for LZVUBQQLYBKXMA-UHFFFAOYSA-N is sourced from PubChem (CID 143262651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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