N-[2-chloro-4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-6-fluorophenyl]-2,2-dimethyl-N-propan-2-ylpropanamide

C25H30Cl2FNO4S — CID 73296627

IUPACN-[2-chloro-4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-6-fluorophenyl]-2,2-dimethyl-N-propan-2-ylpropanamide
SMILESCC(C)N(C(=O)C(C)(C)C)c1c(F)cc(C2(S(=O)(=O)c3ccc(Cl)cc3)CCOCC2)cc1Cl
InChIInChI=1S/C25H30Cl2FNO4S/c1-16(2)29(23(30)24(3,4)5)22-20(27)14-17(15-21(22)28)25(10-12-33-13-11-25)34(31,32)19-8-6-18(26)7-9-19/h6-9,14-16H,10-13H2,1-5H3
InChIKeyFYEYWWJFYWFFSO-UHFFFAOYSA-N
MW530.49 g/mol
LogP6.40
Rot. Bonds5

About N-[2-chloro-4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-6-fluorophenyl]-2,2-dimethyl-N-propan-2-ylpropanamide

N-[2-chloro-4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-6-fluorophenyl]-2,2-dimethyl-N-propan-2-ylpropanamide (PubChem CID 73296627) has the molecular formula C25H30Cl2FNO4S and a molecular weight of 530.49 g/mol. Its IUPAC name is N-[2-chloro-4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-6-fluorophenyl]-2,2-dimethyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-[2-chloro-4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-6-fluorophenyl]-2,2-dimethyl-N-propan-2-ylpropanamide
PubChem CID73296627
Molecular FormulaC25H30Cl2FNO4S
Molecular Weight530.49 g/mol
Exact Mass529.13
IUPAC NameN-[2-chloro-4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-6-fluorophenyl]-2,2-dimethyl-N-propan-2-ylpropanamide
SMILESCC(C)N(C(=O)C(C)(C)C)c1c(F)cc(C2(S(=O)(=O)c3ccc(Cl)cc3)CCOCC2)cc1Cl
InChIInChI=1S/C25H30Cl2FNO4S/c1-16(2)29(23(30)24(3,4)5)22-20(27)14-17(15-21(22)28)25(10-12-33-13-11-25)34(31,32)19-8-6-18(26)7-9-19/h6-9,14-16H,10-13H2,1-5H3
InChIKeyFYEYWWJFYWFFSO-UHFFFAOYSA-N
XLogP6.40
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.49
LogP ≤ 56.40
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]-2,2-dimethyl-N-propan-2-ylpropanamide?
The IUPAC name of N-[2-chloro-4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-6-fluorophenyl]-2,2-dimethyl-N-propan-2-ylpropanamide (CID 73296627) is N-[2-chloro-4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-6-fluorophenyl]-2,2-dimethyl-N-propan-2-ylpropanamide.
What is the SMILES notation for N-[2-chloro-4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-6-fluorophenyl]-2,2-dimethyl-N-propan-2-ylpropanamide?
The canonical SMILES for N-[2-chloro-4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-6-fluorophenyl]-2,2-dimethyl-N-propan-2-ylpropanamide is CC(C)N(C(=O)C(C)(C)C)c1c(F)cc(C2(S(=O)(=O)c3ccc(Cl)cc3)CCOCC2)cc1Cl.
What is the InChIKey of N-[2-chloro-4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-6-fluorophenyl]-2,2-dimethyl-N-propan-2-ylpropanamide?
The InChIKey is FYEYWWJFYWFFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30Cl2FNO4S/c1-16(2)29(23(30)24(3,4)5)22-20(27)14-17(15-21(22)28)25(10-12-33-13-11-25)34(31,32)19-8-6-18(26)7-9-19/h6-9,14-16H,10-13H2,1-5H3.
What are the key properties of N-[2-chloro-4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-6-fluorophenyl]-2,2-dimethyl-N-propan-2-ylpropanamide?
N-[2-chloro-4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-6-fluorophenyl]-2,2-dimethyl-N-propan-2-ylpropanamide has a molecular weight of 530.49 g/mol, XLogP of 6.40, 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]-2,2-dimethyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 73296627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).