N-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-N-propan-2-ylcyclopropanecarboxamide

C24H27ClFNO4S — CID 73295857

IUPACN-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-N-propan-2-ylcyclopropanecarboxamide
SMILESCC(C)N(C(=O)C1CC1)c1ccc(C2(S(=O)(=O)c3ccc(Cl)cc3)CCOCC2)cc1F
InChIInChI=1S/C24H27ClFNO4S/c1-16(2)27(23(28)17-3-4-17)22-10-5-18(15-21(22)26)24(11-13-31-14-12-24)32(29,30)20-8-6-19(25)7-9-20/h5-10,15-17H,3-4,11-14H2,1-2H3
InChIKeySDKSIJBEAGZVAG-UHFFFAOYSA-N
MW480.00 g/mol
LogP5.11
Rot. Bonds6

About N-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-N-propan-2-ylcyclopropanecarboxamide

N-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-N-propan-2-ylcyclopropanecarboxamide (PubChem CID 73295857) has the molecular formula C24H27ClFNO4S and a molecular weight of 480.00 g/mol. Its IUPAC name is N-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-N-propan-2-ylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-N-propan-2-ylcyclopropanecarboxamide
PubChem CID73295857
Molecular FormulaC24H27ClFNO4S
Molecular Weight480.00 g/mol
Exact Mass479.13
IUPAC NameN-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-N-propan-2-ylcyclopropanecarboxamide
SMILESCC(C)N(C(=O)C1CC1)c1ccc(C2(S(=O)(=O)c3ccc(Cl)cc3)CCOCC2)cc1F
InChIInChI=1S/C24H27ClFNO4S/c1-16(2)27(23(28)17-3-4-17)22-10-5-18(15-21(22)26)24(11-13-31-14-12-24)32(29,30)20-8-6-19(25)7-9-20/h5-10,15-17H,3-4,11-14H2,1-2H3
InChIKeySDKSIJBEAGZVAG-UHFFFAOYSA-N
XLogP5.11
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.00
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-N-propan-2-ylcyclopropanecarboxamide?
The IUPAC name of N-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-N-propan-2-ylcyclopropanecarboxamide (CID 73295857) is N-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-N-propan-2-ylcyclopropanecarboxamide.
What is the SMILES notation for N-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-N-propan-2-ylcyclopropanecarboxamide?
The canonical SMILES for N-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-N-propan-2-ylcyclopropanecarboxamide is CC(C)N(C(=O)C1CC1)c1ccc(C2(S(=O)(=O)c3ccc(Cl)cc3)CCOCC2)cc1F.
What is the InChIKey of N-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-N-propan-2-ylcyclopropanecarboxamide?
The InChIKey is SDKSIJBEAGZVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClFNO4S/c1-16(2)27(23(28)17-3-4-17)22-10-5-18(15-21(22)26)24(11-13-31-14-12-24)32(29,30)20-8-6-19(25)7-9-20/h5-10,15-17H,3-4,11-14H2,1-2H3.
What are the key properties of N-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-N-propan-2-ylcyclopropanecarboxamide?
N-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-N-propan-2-ylcyclopropanecarboxamide has a molecular weight of 480.00 g/mol, XLogP of 5.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-N-propan-2-ylcyclopropanecarboxamide is sourced from PubChem (CID 73295857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).