N-[2-chloro-4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-6-fluorophenyl]-N-cyclopropyl-2,2-dimethylpropanamide

C25H28Cl2FNO4S — CID 73296629

IUPACN-[2-chloro-4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-6-fluorophenyl]-N-cyclopropyl-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N(c1c(F)cc(C2(S(=O)(=O)c3ccc(Cl)cc3)CCOCC2)cc1Cl)C1CC1
InChIInChI=1S/C25H28Cl2FNO4S/c1-24(2,3)23(30)29(18-6-7-18)22-20(27)14-16(15-21(22)28)25(10-12-33-13-11-25)34(31,32)19-8-4-17(26)5-9-19/h4-5,8-9,14-15,18H,6-7,10-13H2,1-3H3
InChIKeyKJHTXSVRGUVUAA-UHFFFAOYSA-N
MW528.47 g/mol
LogP6.15
Rot. Bonds5

About N-[2-chloro-4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-6-fluorophenyl]-N-cyclopropyl-2,2-dimethylpropanamide

N-[2-chloro-4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-6-fluorophenyl]-N-cyclopropyl-2,2-dimethylpropanamide (PubChem CID 73296629) has the molecular formula C25H28Cl2FNO4S and a molecular weight of 528.47 g/mol. Its IUPAC name is N-[2-chloro-4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-6-fluorophenyl]-N-cyclopropyl-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-chloro-4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-6-fluorophenyl]-N-cyclopropyl-2,2-dimethylpropanamide
PubChem CID73296629
Molecular FormulaC25H28Cl2FNO4S
Molecular Weight528.47 g/mol
Exact Mass527.11
IUPAC NameN-[2-chloro-4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-6-fluorophenyl]-N-cyclopropyl-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N(c1c(F)cc(C2(S(=O)(=O)c3ccc(Cl)cc3)CCOCC2)cc1Cl)C1CC1
InChIInChI=1S/C25H28Cl2FNO4S/c1-24(2,3)23(30)29(18-6-7-18)22-20(27)14-16(15-21(22)28)25(10-12-33-13-11-25)34(31,32)19-8-4-17(26)5-9-19/h4-5,8-9,14-15,18H,6-7,10-13H2,1-3H3
InChIKeyKJHTXSVRGUVUAA-UHFFFAOYSA-N
XLogP6.15
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.47
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-6-fluorophenyl]-N-cyclopropyl-2,2-dimethylpropanamide?
The IUPAC name of N-[2-chloro-4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-6-fluorophenyl]-N-cyclopropyl-2,2-dimethylpropanamide (CID 73296629) is N-[2-chloro-4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-6-fluorophenyl]-N-cyclopropyl-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-chloro-4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-6-fluorophenyl]-N-cyclopropyl-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-chloro-4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-6-fluorophenyl]-N-cyclopropyl-2,2-dimethylpropanamide is CC(C)(C)C(=O)N(c1c(F)cc(C2(S(=O)(=O)c3ccc(Cl)cc3)CCOCC2)cc1Cl)C1CC1.
What is the InChIKey of N-[2-chloro-4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-6-fluorophenyl]-N-cyclopropyl-2,2-dimethylpropanamide?
The InChIKey is KJHTXSVRGUVUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28Cl2FNO4S/c1-24(2,3)23(30)29(18-6-7-18)22-20(27)14-16(15-21(22)28)25(10-12-33-13-11-25)34(31,32)19-8-4-17(26)5-9-19/h4-5,8-9,14-15,18H,6-7,10-13H2,1-3H3.
What are the key properties of N-[2-chloro-4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-6-fluorophenyl]-N-cyclopropyl-2,2-dimethylpropanamide?
N-[2-chloro-4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-6-fluorophenyl]-N-cyclopropyl-2,2-dimethylpropanamide has a molecular weight of 528.47 g/mol, XLogP of 6.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-6-fluorophenyl]-N-cyclopropyl-2,2-dimethylpropanamide is sourced from PubChem (CID 73296629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).