8-chloro-N-[(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-oxo-2,3-dihydro-1H-indolizine-7-sulfonamide

C16H13Cl2F3N2O3S — CID 172614428

IUPAC8-chloro-N-[(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-oxo-2,3-dihydro-1H-indolizine-7-sulfonamide
SMILESO=c1cc(S(=O)(=O)N[C@H](c2ccc(Cl)cc2)C(F)(F)F)c(Cl)c2n1CCC2
InChIInChI=1S/C16H13Cl2F3N2O3S/c17-10-5-3-9(4-6-10)15(16(19,20)21)22-27(25,26)12-8-13(24)23-7-1-2-11(23)14(12)18/h3-6,8,15,22H,1-2,7H2/t15-/m1/s1
InChIKeyGNZVAAKKGXQTPN-OAHLLOKOSA-N
MW441.26 g/mol
LogP3.68
Rot. Bonds4

About 8-chloro-N-[(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-oxo-2,3-dihydro-1H-indolizine-7-sulfonamide

8-chloro-N-[(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-oxo-2,3-dihydro-1H-indolizine-7-sulfonamide (PubChem CID 172614428) has the molecular formula C16H13Cl2F3N2O3S and a molecular weight of 441.26 g/mol. Its IUPAC name is 8-chloro-N-[(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-oxo-2,3-dihydro-1H-indolizine-7-sulfonamide.

Molecular Properties

Compound Name8-chloro-N-[(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-oxo-2,3-dihydro-1H-indolizine-7-sulfonamide
PubChem CID172614428
Molecular FormulaC16H13Cl2F3N2O3S
Molecular Weight441.26 g/mol
Exact Mass440.00
IUPAC Name8-chloro-N-[(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-oxo-2,3-dihydro-1H-indolizine-7-sulfonamide
SMILESO=c1cc(S(=O)(=O)N[C@H](c2ccc(Cl)cc2)C(F)(F)F)c(Cl)c2n1CCC2
InChIInChI=1S/C16H13Cl2F3N2O3S/c17-10-5-3-9(4-6-10)15(16(19,20)21)22-27(25,26)12-8-13(24)23-7-1-2-11(23)14(12)18/h3-6,8,15,22H,1-2,7H2/t15-/m1/s1
InChIKeyGNZVAAKKGXQTPN-OAHLLOKOSA-N
XLogP3.68
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.26
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-oxo-2,3-dihydro-1H-indolizine-7-sulfonamide?
The IUPAC name of 8-chloro-N-[(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-oxo-2,3-dihydro-1H-indolizine-7-sulfonamide (CID 172614428) is 8-chloro-N-[(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-oxo-2,3-dihydro-1H-indolizine-7-sulfonamide.
What is the SMILES notation for 8-chloro-N-[(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-oxo-2,3-dihydro-1H-indolizine-7-sulfonamide?
The canonical SMILES for 8-chloro-N-[(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-oxo-2,3-dihydro-1H-indolizine-7-sulfonamide is O=c1cc(S(=O)(=O)N[C@H](c2ccc(Cl)cc2)C(F)(F)F)c(Cl)c2n1CCC2.
What is the InChIKey of 8-chloro-N-[(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-oxo-2,3-dihydro-1H-indolizine-7-sulfonamide?
The InChIKey is GNZVAAKKGXQTPN-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H13Cl2F3N2O3S/c17-10-5-3-9(4-6-10)15(16(19,20)21)22-27(25,26)12-8-13(24)23-7-1-2-11(23)14(12)18/h3-6,8,15,22H,1-2,7H2/t15-/m1/s1.
What are the key properties of 8-chloro-N-[(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-oxo-2,3-dihydro-1H-indolizine-7-sulfonamide?
8-chloro-N-[(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-oxo-2,3-dihydro-1H-indolizine-7-sulfonamide has a molecular weight of 441.26 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-[(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-oxo-2,3-dihydro-1H-indolizine-7-sulfonamide is sourced from PubChem (CID 172614428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).