N-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-1-methyl-N-propan-2-ylcyclopropane-1-carboxamide

C25H29ClFNO4S — CID 73296189

IUPACN-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-1-methyl-N-propan-2-ylcyclopropane-1-carboxamide
SMILESCC(C)N(C(=O)C1(C)CC1)c1ccc(C2(S(=O)(=O)c3ccc(Cl)cc3)CCOCC2)cc1F
InChIInChI=1S/C25H29ClFNO4S/c1-17(2)28(23(29)24(3)10-11-24)22-9-4-18(16-21(22)27)25(12-14-32-15-13-25)33(30,31)20-7-5-19(26)6-8-20/h4-9,16-17H,10-15H2,1-3H3
InChIKeyFLXQSKOSTJQGHZ-UHFFFAOYSA-N
MW494.03 g/mol
LogP5.50
Rot. Bonds6

About N-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-1-methyl-N-propan-2-ylcyclopropane-1-carboxamide

N-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-1-methyl-N-propan-2-ylcyclopropane-1-carboxamide (PubChem CID 73296189) has the molecular formula C25H29ClFNO4S and a molecular weight of 494.03 g/mol. Its IUPAC name is N-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-1-methyl-N-propan-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-1-methyl-N-propan-2-ylcyclopropane-1-carboxamide
PubChem CID73296189
Molecular FormulaC25H29ClFNO4S
Molecular Weight494.03 g/mol
Exact Mass493.15
IUPAC NameN-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-1-methyl-N-propan-2-ylcyclopropane-1-carboxamide
SMILESCC(C)N(C(=O)C1(C)CC1)c1ccc(C2(S(=O)(=O)c3ccc(Cl)cc3)CCOCC2)cc1F
InChIInChI=1S/C25H29ClFNO4S/c1-17(2)28(23(29)24(3)10-11-24)22-9-4-18(16-21(22)27)25(12-14-32-15-13-25)33(30,31)20-7-5-19(26)6-8-20/h4-9,16-17H,10-15H2,1-3H3
InChIKeyFLXQSKOSTJQGHZ-UHFFFAOYSA-N
XLogP5.50
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.03
LogP ≤ 55.50
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]-1-methyl-N-propan-2-ylcyclopropane-1-carboxamide?
The IUPAC name of N-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-1-methyl-N-propan-2-ylcyclopropane-1-carboxamide (CID 73296189) is N-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-1-methyl-N-propan-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-1-methyl-N-propan-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for N-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-1-methyl-N-propan-2-ylcyclopropane-1-carboxamide is CC(C)N(C(=O)C1(C)CC1)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]-1-methyl-N-propan-2-ylcyclopropane-1-carboxamide?
The InChIKey is FLXQSKOSTJQGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClFNO4S/c1-17(2)28(23(29)24(3)10-11-24)22-9-4-18(16-21(22)27)25(12-14-32-15-13-25)33(30,31)20-7-5-19(26)6-8-20/h4-9,16-17H,10-15H2,1-3H3.
What are the key properties of N-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-1-methyl-N-propan-2-ylcyclopropane-1-carboxamide?
N-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-1-methyl-N-propan-2-ylcyclopropane-1-carboxamide has a molecular weight of 494.03 g/mol, XLogP of 5.50, 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]-1-methyl-N-propan-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 73296189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).