N-[2-(2-chloroanilino)-2-oxoethyl]-3-(4-fluorophenyl)sulfonyl-N-methylpropanamide

C18H18ClFN2O4S — CID 9409716

IUPACN-[2-(2-chloroanilino)-2-oxoethyl]-3-(4-fluorophenyl)sulfonyl-N-methylpropanamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)CCS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H18ClFN2O4S/c1-22(12-17(23)21-16-5-3-2-4-15(16)19)18(24)10-11-27(25,26)14-8-6-13(20)7-9-14/h2-9H,10-12H2,1H3,(H,21,23)
InChIKeyMOAJXHRQRZCBEX-UHFFFAOYSA-N
MW412.87 g/mol
LogP2.74
Rot. Bonds7

About N-[2-(2-chloroanilino)-2-oxoethyl]-3-(4-fluorophenyl)sulfonyl-N-methylpropanamide

N-[2-(2-chloroanilino)-2-oxoethyl]-3-(4-fluorophenyl)sulfonyl-N-methylpropanamide (PubChem CID 9409716) has the molecular formula C18H18ClFN2O4S and a molecular weight of 412.87 g/mol. Its IUPAC name is N-[2-(2-chloroanilino)-2-oxoethyl]-3-(4-fluorophenyl)sulfonyl-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-(2-chloroanilino)-2-oxoethyl]-3-(4-fluorophenyl)sulfonyl-N-methylpropanamide
PubChem CID9409716
Molecular FormulaC18H18ClFN2O4S
Molecular Weight412.87 g/mol
Exact Mass412.07
IUPAC NameN-[2-(2-chloroanilino)-2-oxoethyl]-3-(4-fluorophenyl)sulfonyl-N-methylpropanamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)CCS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H18ClFN2O4S/c1-22(12-17(23)21-16-5-3-2-4-15(16)19)18(24)10-11-27(25,26)14-8-6-13(20)7-9-14/h2-9H,10-12H2,1H3,(H,21,23)
InChIKeyMOAJXHRQRZCBEX-UHFFFAOYSA-N
XLogP2.74
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.87
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-3-(4-fluorophenyl)sulfonyl-N-methylpropanamide?
The IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-3-(4-fluorophenyl)sulfonyl-N-methylpropanamide (CID 9409716) is N-[2-(2-chloroanilino)-2-oxoethyl]-3-(4-fluorophenyl)sulfonyl-N-methylpropanamide.
What is the SMILES notation for N-[2-(2-chloroanilino)-2-oxoethyl]-3-(4-fluorophenyl)sulfonyl-N-methylpropanamide?
The canonical SMILES for N-[2-(2-chloroanilino)-2-oxoethyl]-3-(4-fluorophenyl)sulfonyl-N-methylpropanamide is CN(CC(=O)Nc1ccccc1Cl)C(=O)CCS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-(2-chloroanilino)-2-oxoethyl]-3-(4-fluorophenyl)sulfonyl-N-methylpropanamide?
The InChIKey is MOAJXHRQRZCBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O4S/c1-22(12-17(23)21-16-5-3-2-4-15(16)19)18(24)10-11-27(25,26)14-8-6-13(20)7-9-14/h2-9H,10-12H2,1H3,(H,21,23).
What are the key properties of N-[2-(2-chloroanilino)-2-oxoethyl]-3-(4-fluorophenyl)sulfonyl-N-methylpropanamide?
N-[2-(2-chloroanilino)-2-oxoethyl]-3-(4-fluorophenyl)sulfonyl-N-methylpropanamide has a molecular weight of 412.87 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroanilino)-2-oxoethyl]-3-(4-fluorophenyl)sulfonyl-N-methylpropanamide is sourced from PubChem (CID 9409716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).