N-(2-chloroprop-2-enylsulfonyl)-2,3-difluorobenzamide

C10H8ClF2NO3S — CID 75522733

IUPACN-(2-chloroprop-2-enylsulfonyl)-2,3-difluorobenzamide
SMILESC=C(Cl)CS(=O)(=O)NC(=O)c1cccc(F)c1F
InChIInChI=1S/C10H8ClF2NO3S/c1-6(11)5-18(16,17)14-10(15)7-3-2-4-8(12)9(7)13/h2-4H,1,5H2,(H,14,15)
InChIKeyKNJXUNMGNYCTNM-UHFFFAOYSA-N
MW295.69 g/mol
LogP1.78
Rot. Bonds4

About N-(2-chloroprop-2-enylsulfonyl)-2,3-difluorobenzamide

N-(2-chloroprop-2-enylsulfonyl)-2,3-difluorobenzamide (PubChem CID 75522733) has the molecular formula C10H8ClF2NO3S and a molecular weight of 295.69 g/mol. Its IUPAC name is N-(2-chloroprop-2-enylsulfonyl)-2,3-difluorobenzamide.

Molecular Properties

Compound NameN-(2-chloroprop-2-enylsulfonyl)-2,3-difluorobenzamide
PubChem CID75522733
Molecular FormulaC10H8ClF2NO3S
Molecular Weight295.69 g/mol
Exact Mass294.99
IUPAC NameN-(2-chloroprop-2-enylsulfonyl)-2,3-difluorobenzamide
SMILESC=C(Cl)CS(=O)(=O)NC(=O)c1cccc(F)c1F
InChIInChI=1S/C10H8ClF2NO3S/c1-6(11)5-18(16,17)14-10(15)7-3-2-4-8(12)9(7)13/h2-4H,1,5H2,(H,14,15)
InChIKeyKNJXUNMGNYCTNM-UHFFFAOYSA-N
XLogP1.78
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.69
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enylsulfonyl)-2,3-difluorobenzamide?
The IUPAC name of N-(2-chloroprop-2-enylsulfonyl)-2,3-difluorobenzamide (CID 75522733) is N-(2-chloroprop-2-enylsulfonyl)-2,3-difluorobenzamide.
What is the SMILES notation for N-(2-chloroprop-2-enylsulfonyl)-2,3-difluorobenzamide?
The canonical SMILES for N-(2-chloroprop-2-enylsulfonyl)-2,3-difluorobenzamide is C=C(Cl)CS(=O)(=O)NC(=O)c1cccc(F)c1F.
What is the InChIKey of N-(2-chloroprop-2-enylsulfonyl)-2,3-difluorobenzamide?
The InChIKey is KNJXUNMGNYCTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF2NO3S/c1-6(11)5-18(16,17)14-10(15)7-3-2-4-8(12)9(7)13/h2-4H,1,5H2,(H,14,15).
What are the key properties of N-(2-chloroprop-2-enylsulfonyl)-2,3-difluorobenzamide?
N-(2-chloroprop-2-enylsulfonyl)-2,3-difluorobenzamide has a molecular weight of 295.69 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enylsulfonyl)-2,3-difluorobenzamide is sourced from PubChem (CID 75522733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).