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

C24H29ClFNO4S — CID 73296337

IUPACN-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-2-methyl-N-propan-2-ylpropanamide
SMILESCC(C)C(=O)N(c1ccc(C2(S(=O)(=O)c3ccc(Cl)cc3)CCOCC2)cc1F)C(C)C
InChIInChI=1S/C24H29ClFNO4S/c1-16(2)23(28)27(17(3)4)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,11-14H2,1-4H3
InChIKeyYRTZGQGLQDHCQZ-UHFFFAOYSA-N
MW482.02 g/mol
LogP5.36
Rot. Bonds6

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

N-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-2-methyl-N-propan-2-ylpropanamide (PubChem CID 73296337) has the molecular formula C24H29ClFNO4S and a molecular weight of 482.02 g/mol. Its IUPAC name is N-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-2-methyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-2-methyl-N-propan-2-ylpropanamide
PubChem CID73296337
Molecular FormulaC24H29ClFNO4S
Molecular Weight482.02 g/mol
Exact Mass481.15
IUPAC NameN-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-2-methyl-N-propan-2-ylpropanamide
SMILESCC(C)C(=O)N(c1ccc(C2(S(=O)(=O)c3ccc(Cl)cc3)CCOCC2)cc1F)C(C)C
InChIInChI=1S/C24H29ClFNO4S/c1-16(2)23(28)27(17(3)4)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,11-14H2,1-4H3
InChIKeyYRTZGQGLQDHCQZ-UHFFFAOYSA-N
XLogP5.36
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.02
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-2-methyl-N-propan-2-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-2-methyl-N-propan-2-ylpropanamide?
The IUPAC name of N-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-2-methyl-N-propan-2-ylpropanamide (CID 73296337) is N-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-2-methyl-N-propan-2-ylpropanamide.
What is the SMILES notation for N-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-2-methyl-N-propan-2-ylpropanamide?
The canonical SMILES for N-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-2-methyl-N-propan-2-ylpropanamide is CC(C)C(=O)N(c1ccc(C2(S(=O)(=O)c3ccc(Cl)cc3)CCOCC2)cc1F)C(C)C.
What is the InChIKey of N-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-2-methyl-N-propan-2-ylpropanamide?
The InChIKey is YRTZGQGLQDHCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClFNO4S/c1-16(2)23(28)27(17(3)4)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,11-14H2,1-4H3.
What are the key properties of N-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-2-methyl-N-propan-2-ylpropanamide?
N-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-2-methyl-N-propan-2-ylpropanamide has a molecular weight of 482.02 g/mol, XLogP of 5.36, 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]-2-methyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 73296337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).