8-[(4-chlorophenyl)sulfonylamino]-5-fluoro-N-[2-(1-methylimidazol-4-yl)ethyl]quinoline-2-carboxamide

C22H19ClFN5O3S — CID 25059318

IUPAC8-[(4-chlorophenyl)sulfonylamino]-5-fluoro-N-[2-(1-methylimidazol-4-yl)ethyl]quinoline-2-carboxamide
SMILESCn1cnc(CCNC(=O)c2ccc3c(F)ccc(NS(=O)(=O)c4ccc(Cl)cc4)c3n2)c1
InChIInChI=1S/C22H19ClFN5O3S/c1-29-12-15(26-13-29)10-11-25-22(30)20-8-6-17-18(24)7-9-19(21(17)27-20)28-33(31,32)16-4-2-14(23)3-5-16/h2-9,12-13,28H,10-11H2,1H3,(H,25,30)
InChIKeyCFZVLHDCNVDMNU-UHFFFAOYSA-N
MW487.94 g/mol
LogP3.53
Rot. Bonds7

About 8-[(4-chlorophenyl)sulfonylamino]-5-fluoro-N-[2-(1-methylimidazol-4-yl)ethyl]quinoline-2-carboxamide

8-[(4-chlorophenyl)sulfonylamino]-5-fluoro-N-[2-(1-methylimidazol-4-yl)ethyl]quinoline-2-carboxamide (PubChem CID 25059318) has the molecular formula C22H19ClFN5O3S and a molecular weight of 487.94 g/mol. Its IUPAC name is 8-[(4-chlorophenyl)sulfonylamino]-5-fluoro-N-[2-(1-methylimidazol-4-yl)ethyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name8-[(4-chlorophenyl)sulfonylamino]-5-fluoro-N-[2-(1-methylimidazol-4-yl)ethyl]quinoline-2-carboxamide
PubChem CID25059318
Molecular FormulaC22H19ClFN5O3S
Molecular Weight487.94 g/mol
Exact Mass487.09
IUPAC Name8-[(4-chlorophenyl)sulfonylamino]-5-fluoro-N-[2-(1-methylimidazol-4-yl)ethyl]quinoline-2-carboxamide
SMILESCn1cnc(CCNC(=O)c2ccc3c(F)ccc(NS(=O)(=O)c4ccc(Cl)cc4)c3n2)c1
InChIInChI=1S/C22H19ClFN5O3S/c1-29-12-15(26-13-29)10-11-25-22(30)20-8-6-17-18(24)7-9-19(21(17)27-20)28-33(31,32)16-4-2-14(23)3-5-16/h2-9,12-13,28H,10-11H2,1H3,(H,25,30)
InChIKeyCFZVLHDCNVDMNU-UHFFFAOYSA-N
XLogP3.53
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.94
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-[(4-chlorophenyl)sulfonylamino]-5-fluoro-N-[2-(1-methylimidazol-4-yl)ethyl]quinoline-2-carboxamide 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 8-[(4-chlorophenyl)sulfonylamino]-5-fluoro-N-[2-(1-methylimidazol-4-yl)ethyl]quinoline-2-carboxamide?
The IUPAC name of 8-[(4-chlorophenyl)sulfonylamino]-5-fluoro-N-[2-(1-methylimidazol-4-yl)ethyl]quinoline-2-carboxamide (CID 25059318) is 8-[(4-chlorophenyl)sulfonylamino]-5-fluoro-N-[2-(1-methylimidazol-4-yl)ethyl]quinoline-2-carboxamide.
What is the SMILES notation for 8-[(4-chlorophenyl)sulfonylamino]-5-fluoro-N-[2-(1-methylimidazol-4-yl)ethyl]quinoline-2-carboxamide?
The canonical SMILES for 8-[(4-chlorophenyl)sulfonylamino]-5-fluoro-N-[2-(1-methylimidazol-4-yl)ethyl]quinoline-2-carboxamide is Cn1cnc(CCNC(=O)c2ccc3c(F)ccc(NS(=O)(=O)c4ccc(Cl)cc4)c3n2)c1.
What is the InChIKey of 8-[(4-chlorophenyl)sulfonylamino]-5-fluoro-N-[2-(1-methylimidazol-4-yl)ethyl]quinoline-2-carboxamide?
The InChIKey is CFZVLHDCNVDMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN5O3S/c1-29-12-15(26-13-29)10-11-25-22(30)20-8-6-17-18(24)7-9-19(21(17)27-20)28-33(31,32)16-4-2-14(23)3-5-16/h2-9,12-13,28H,10-11H2,1H3,(H,25,30).
What are the key properties of 8-[(4-chlorophenyl)sulfonylamino]-5-fluoro-N-[2-(1-methylimidazol-4-yl)ethyl]quinoline-2-carboxamide?
8-[(4-chlorophenyl)sulfonylamino]-5-fluoro-N-[2-(1-methylimidazol-4-yl)ethyl]quinoline-2-carboxamide has a molecular weight of 487.94 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-chlorophenyl)sulfonylamino]-5-fluoro-N-[2-(1-methylimidazol-4-yl)ethyl]quinoline-2-carboxamide is sourced from PubChem (CID 25059318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).