2,2-difluoro-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]cyclopropane-1-carboxamide

C8H8F2N2O3S2 — CID 136546708

IUPAC2,2-difluoro-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]cyclopropane-1-carboxamide
SMILESCc1ncc(S(=O)(=O)NC(=O)C2CC2(F)F)s1
InChIInChI=1S/C8H8F2N2O3S2/c1-4-11-3-6(16-4)17(14,15)12-7(13)5-2-8(5,9)10/h3,5H,2H2,1H3,(H,12,13)
InChIKeyILIWDSMYSOJXQB-UHFFFAOYSA-N
MW282.29 g/mol
LogP0.91
Rot. Bonds3

About 2,2-difluoro-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]cyclopropane-1-carboxamide

2,2-difluoro-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]cyclopropane-1-carboxamide (PubChem CID 136546708) has the molecular formula C8H8F2N2O3S2 and a molecular weight of 282.29 g/mol. Its IUPAC name is 2,2-difluoro-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-difluoro-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]cyclopropane-1-carboxamide
PubChem CID136546708
Molecular FormulaC8H8F2N2O3S2
Molecular Weight282.29 g/mol
Exact Mass281.99
IUPAC Name2,2-difluoro-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]cyclopropane-1-carboxamide
SMILESCc1ncc(S(=O)(=O)NC(=O)C2CC2(F)F)s1
InChIInChI=1S/C8H8F2N2O3S2/c1-4-11-3-6(16-4)17(14,15)12-7(13)5-2-8(5,9)10/h3,5H,2H2,1H3,(H,12,13)
InChIKeyILIWDSMYSOJXQB-UHFFFAOYSA-N
XLogP0.91
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2-difluoro-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]cyclopropane-1-carboxamide (CID 136546708) is 2,2-difluoro-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-difluoro-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-difluoro-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]cyclopropane-1-carboxamide is Cc1ncc(S(=O)(=O)NC(=O)C2CC2(F)F)s1.
What is the InChIKey of 2,2-difluoro-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]cyclopropane-1-carboxamide?
The InChIKey is ILIWDSMYSOJXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O3S2/c1-4-11-3-6(16-4)17(14,15)12-7(13)5-2-8(5,9)10/h3,5H,2H2,1H3,(H,12,13).
What are the key properties of 2,2-difluoro-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]cyclopropane-1-carboxamide?
2,2-difluoro-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]cyclopropane-1-carboxamide has a molecular weight of 282.29 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 136546708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).