2-(3-chloro-4-fluorophenyl)sulfonyl-N-cyclopropylpropanamide

C12H13ClFNO3S — CID 47218027

IUPAC2-(3-chloro-4-fluorophenyl)sulfonyl-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)S(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H13ClFNO3S/c1-7(12(16)15-8-2-3-8)19(17,18)9-4-5-11(14)10(13)6-9/h4-8H,2-3H2,1H3,(H,15,16)
InChIKeyJXBCCRPRFXGRKL-UHFFFAOYSA-N
MW305.76 g/mol
LogP1.92
Rot. Bonds4

About 2-(3-chloro-4-fluorophenyl)sulfonyl-N-cyclopropylpropanamide

2-(3-chloro-4-fluorophenyl)sulfonyl-N-cyclopropylpropanamide (PubChem CID 47218027) has the molecular formula C12H13ClFNO3S and a molecular weight of 305.76 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)sulfonyl-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)sulfonyl-N-cyclopropylpropanamide
PubChem CID47218027
Molecular FormulaC12H13ClFNO3S
Molecular Weight305.76 g/mol
Exact Mass305.03
IUPAC Name2-(3-chloro-4-fluorophenyl)sulfonyl-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)S(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H13ClFNO3S/c1-7(12(16)15-8-2-3-8)19(17,18)9-4-5-11(14)10(13)6-9/h4-8H,2-3H2,1H3,(H,15,16)
InChIKeyJXBCCRPRFXGRKL-UHFFFAOYSA-N
XLogP1.92
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-amino-3-fluorophenyl)sulfonyl-N-cyclopropylpropanamide
CID 81187428
(2S)-2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropylpropanamide
CID 8710855
(2S)-2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-N-cyclopropylpropanamide
CID 8710856
(2R)-2-(3-chloro-4-fluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 94027303
(2R)-2-(3-chloro-4-fluorophenoxy)-N-cyclopropylpropanamide
CID 7751160
1-(3-chloro-4-fluorophenyl)sulfonylethanethiol
CID 147177623
3-(3-chloro-4-fluorophenyl)sulfonyl-N-methylbutan-2-amine
CID 64673551
2-(2-amino-5-fluorophenyl)sulfonyl-N-cyclopropylpropanamide
CID 81183174
2-(3-chloro-4-fluoroanilino)-N-cyclohexylpropanamide
CID 78907261
3-[(3-chloro-4-fluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 66031557
2-(3-chloro-4-fluorophenyl)sulfonylpropanenitrile
CID 55208345
(2S)-N-cyclohexyl-2-(2-fluorophenyl)sulfonylpropanamide
CID 94151255

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)sulfonyl-N-cyclopropylpropanamide?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)sulfonyl-N-cyclopropylpropanamide (CID 47218027) is 2-(3-chloro-4-fluorophenyl)sulfonyl-N-cyclopropylpropanamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)sulfonyl-N-cyclopropylpropanamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)sulfonyl-N-cyclopropylpropanamide is CC(C(=O)NC1CC1)S(=O)(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)sulfonyl-N-cyclopropylpropanamide?
The InChIKey is JXBCCRPRFXGRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO3S/c1-7(12(16)15-8-2-3-8)19(17,18)9-4-5-11(14)10(13)6-9/h4-8H,2-3H2,1H3,(H,15,16).
What are the key properties of 2-(3-chloro-4-fluorophenyl)sulfonyl-N-cyclopropylpropanamide?
2-(3-chloro-4-fluorophenyl)sulfonyl-N-cyclopropylpropanamide has a molecular weight of 305.76 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)sulfonyl-N-cyclopropylpropanamide is sourced from PubChem (CID 47218027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).