CID 69303460

C14H13F3KN2O4S — CID 69303460

IUPAC—
SMILESCc1[nH]n(C)c(=O)c1C(=O)c1ccc(C(F)(F)F)cc1S(C)(=O)=O.[K]
InChIInChI=1S/C14H13F3N2O4S.K/c1-7-11(13(21)19(2)18-7)12(20)9-5-4-8(14(15,16)17)6-10(9)24(3,22)23;/h4-6,18H,1-3H3;
InChIKeyGZOOOKYSIDHSCH-UHFFFAOYSA-N
MW401.43 g/mol
LogP1.29
Rot. Bonds3

About CID 69303460

CID 69303460 (PubChem CID 69303460) has the molecular formula C14H13F3KN2O4S and a molecular weight of 401.43 g/mol.

Molecular Properties

Compound NameCID 69303460
PubChem CID69303460
Molecular FormulaC14H13F3KN2O4S
Molecular Weight401.43 g/mol
Exact Mass401.02
IUPAC Name—
SMILESCc1[nH]n(C)c(=O)c1C(=O)c1ccc(C(F)(F)F)cc1S(C)(=O)=O.[K]
InChIInChI=1S/C14H13F3N2O4S.K/c1-7-11(13(21)19(2)18-7)12(20)9-5-4-8(14(15,16)17)6-10(9)24(3,22)23;/h4-6,18H,1-3H3;
InChIKeyGZOOOKYSIDHSCH-UHFFFAOYSA-N
XLogP1.29
TPSA89.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 69303460?
The IUPAC name of CID 69303460 (CID 69303460) is not available.
What is the SMILES notation for CID 69303460?
The canonical SMILES for CID 69303460 is Cc1[nH]n(C)c(=O)c1C(=O)c1ccc(C(F)(F)F)cc1S(C)(=O)=O.[K].
What is the InChIKey of CID 69303460?
The InChIKey is GZOOOKYSIDHSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O4S.K/c1-7-11(13(21)19(2)18-7)12(20)9-5-4-8(14(15,16)17)6-10(9)24(3,22)23;/h4-6,18H,1-3H3;.
What are the key properties of CID 69303460?
CID 69303460 has a molecular weight of 401.43 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 69303460 is sourced from PubChem (CID 69303460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).