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QMTHPBLQWBHFNZ-UHFFFAOYSA-N

C10H5ClFN3O2S2 — CID 59436522

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

IUPACN-(5-chloro-1,3-thiazol-2-yl)-3-cyano-4-fluorobenzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2ncc(Cl)s2)ccc1F
InChIInChI=1S/C10H5ClFN3O2S2/c11-9-5-14-10(18-9)15-19(16,17)7-1-2-8(12)6(3-7)4-13/h1-3,5H,(H,14,15)
InChIKeyQMTHPBLQWBHFNZ-UHFFFAOYSA-N
MW317.75 g/mol
LogP2.61
Rot. Bonds3

About QMTHPBLQWBHFNZ-UHFFFAOYSA-N

QMTHPBLQWBHFNZ-UHFFFAOYSA-N (PubChem CID 59436522) has the molecular formula C10H5ClFN3O2S2 and a molecular weight of 317.75 g/mol. Its IUPAC name is N-(5-chloro-1,3-thiazol-2-yl)-3-cyano-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameQMTHPBLQWBHFNZ-UHFFFAOYSA-N
PubChem CID59436522
Molecular FormulaC10H5ClFN3O2S2
Molecular Weight317.75 g/mol
Exact Mass316.95
IUPAC NameN-(5-chloro-1,3-thiazol-2-yl)-3-cyano-4-fluorobenzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2ncc(Cl)s2)ccc1F
InChIInChI=1S/C10H5ClFN3O2S2/c11-9-5-14-10(18-9)15-19(16,17)7-1-2-8(12)6(3-7)4-13/h1-3,5H,(H,14,15)
InChIKeyQMTHPBLQWBHFNZ-UHFFFAOYSA-N
XLogP2.61
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.75
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of QMTHPBLQWBHFNZ-UHFFFAOYSA-N?
The IUPAC name of QMTHPBLQWBHFNZ-UHFFFAOYSA-N (CID 59436522) is N-(5-chloro-1,3-thiazol-2-yl)-3-cyano-4-fluorobenzenesulfonamide.
What is the SMILES notation for QMTHPBLQWBHFNZ-UHFFFAOYSA-N?
The canonical SMILES for QMTHPBLQWBHFNZ-UHFFFAOYSA-N is N#Cc1cc(S(=O)(=O)Nc2ncc(Cl)s2)ccc1F.
What is the InChIKey of QMTHPBLQWBHFNZ-UHFFFAOYSA-N?
The InChIKey is QMTHPBLQWBHFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClFN3O2S2/c11-9-5-14-10(18-9)15-19(16,17)7-1-2-8(12)6(3-7)4-13/h1-3,5H,(H,14,15).
What are the key properties of QMTHPBLQWBHFNZ-UHFFFAOYSA-N?
QMTHPBLQWBHFNZ-UHFFFAOYSA-N has a molecular weight of 317.75 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for QMTHPBLQWBHFNZ-UHFFFAOYSA-N is sourced from PubChem (CID 59436522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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