N-(4-chlorophenyl)sulfonyl-2-(2,2-difluorocyclopropyl)acetamide

C11H10ClF2NO3S — CID 54189202

IUPACN-(4-chlorophenyl)sulfonyl-2-(2,2-difluorocyclopropyl)acetamide
SMILESO=C(CC1CC1(F)F)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H10ClF2NO3S/c12-8-1-3-9(4-2-8)19(17,18)15-10(16)5-7-6-11(7,13)14/h1-4,7H,5-6H2,(H,15,16)
InChIKeyPHHSWVAMSFTYIB-UHFFFAOYSA-N
MW309.72 g/mol
LogP2.19
Rot. Bonds4

About N-(4-chlorophenyl)sulfonyl-2-(2,2-difluorocyclopropyl)acetamide

N-(4-chlorophenyl)sulfonyl-2-(2,2-difluorocyclopropyl)acetamide (PubChem CID 54189202) has the molecular formula C11H10ClF2NO3S and a molecular weight of 309.72 g/mol. Its IUPAC name is N-(4-chlorophenyl)sulfonyl-2-(2,2-difluorocyclopropyl)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)sulfonyl-2-(2,2-difluorocyclopropyl)acetamide
PubChem CID54189202
Molecular FormulaC11H10ClF2NO3S
Molecular Weight309.72 g/mol
Exact Mass309.00
IUPAC NameN-(4-chlorophenyl)sulfonyl-2-(2,2-difluorocyclopropyl)acetamide
SMILESO=C(CC1CC1(F)F)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H10ClF2NO3S/c12-8-1-3-9(4-2-8)19(17,18)15-10(16)5-7-6-11(7,13)14/h1-4,7H,5-6H2,(H,15,16)
InChIKeyPHHSWVAMSFTYIB-UHFFFAOYSA-N
XLogP2.19
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.72
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)sulfonyl-2-(2,2-difluorocyclopropyl)acetamide?
The IUPAC name of N-(4-chlorophenyl)sulfonyl-2-(2,2-difluorocyclopropyl)acetamide (CID 54189202) is N-(4-chlorophenyl)sulfonyl-2-(2,2-difluorocyclopropyl)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)sulfonyl-2-(2,2-difluorocyclopropyl)acetamide?
The canonical SMILES for N-(4-chlorophenyl)sulfonyl-2-(2,2-difluorocyclopropyl)acetamide is O=C(CC1CC1(F)F)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)sulfonyl-2-(2,2-difluorocyclopropyl)acetamide?
The InChIKey is PHHSWVAMSFTYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF2NO3S/c12-8-1-3-9(4-2-8)19(17,18)15-10(16)5-7-6-11(7,13)14/h1-4,7H,5-6H2,(H,15,16).
What are the key properties of N-(4-chlorophenyl)sulfonyl-2-(2,2-difluorocyclopropyl)acetamide?
N-(4-chlorophenyl)sulfonyl-2-(2,2-difluorocyclopropyl)acetamide has a molecular weight of 309.72 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)sulfonyl-2-(2,2-difluorocyclopropyl)acetamide is sourced from PubChem (CID 54189202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).