4-[4-(fluoromethyl)-2-methoxyphenyl]-6-methyl-N-(1,3-thiazol-2-yl)quinoline-7-sulfonamide

C21H18FN3O3S2 — CID 118026696

IUPAC4-[4-(fluoromethyl)-2-methoxyphenyl]-6-methyl-N-(1,3-thiazol-2-yl)quinoline-7-sulfonamide
SMILESCOc1cc(CF)ccc1-c1ccnc2cc(S(=O)(=O)Nc3nccs3)c(C)cc12
InChIInChI=1S/C21H18FN3O3S2/c1-13-9-17-15(16-4-3-14(12-22)10-19(16)28-2)5-6-23-18(17)11-20(13)30(26,27)25-21-24-7-8-29-21/h3-11H,12H2,1-2H3,(H,24,25)
InChIKeyFWNYDBLCQRITIA-UHFFFAOYSA-N
MW443.53 g/mol
LogP4.95
Rot. Bonds6

About 4-[4-(fluoromethyl)-2-methoxyphenyl]-6-methyl-N-(1,3-thiazol-2-yl)quinoline-7-sulfonamide

4-[4-(fluoromethyl)-2-methoxyphenyl]-6-methyl-N-(1,3-thiazol-2-yl)quinoline-7-sulfonamide (PubChem CID 118026696) has the molecular formula C21H18FN3O3S2 and a molecular weight of 443.53 g/mol. Its IUPAC name is 4-[4-(fluoromethyl)-2-methoxyphenyl]-6-methyl-N-(1,3-thiazol-2-yl)quinoline-7-sulfonamide.

Molecular Properties

Compound Name4-[4-(fluoromethyl)-2-methoxyphenyl]-6-methyl-N-(1,3-thiazol-2-yl)quinoline-7-sulfonamide
PubChem CID118026696
Molecular FormulaC21H18FN3O3S2
Molecular Weight443.53 g/mol
Exact Mass443.08
IUPAC Name4-[4-(fluoromethyl)-2-methoxyphenyl]-6-methyl-N-(1,3-thiazol-2-yl)quinoline-7-sulfonamide
SMILESCOc1cc(CF)ccc1-c1ccnc2cc(S(=O)(=O)Nc3nccs3)c(C)cc12
InChIInChI=1S/C21H18FN3O3S2/c1-13-9-17-15(16-4-3-14(12-22)10-19(16)28-2)5-6-23-18(17)11-20(13)30(26,27)25-21-24-7-8-29-21/h3-11H,12H2,1-2H3,(H,24,25)
InChIKeyFWNYDBLCQRITIA-UHFFFAOYSA-N
XLogP4.95
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[4-(fluoromethyl)-2-methoxyphenyl]-6-methyl-N-(1,3-thiazol-2-yl)quinoline-7-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-4,6-dimethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 110759565
3-methoxy-4-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
CID 102694633
5-chloro-4-ethoxy-2-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 110757998
4-[2-(5-chloro-2-methoxyphenyl)-2-oxoethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 58190038
5-(3-aminoprop-1-ynyl)-2-methoxy-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 60845136
3-amino-4-methoxy-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 28509857
N-[5-(1,3-thiazol-2-ylsulfamoyl)naphthalen-1-yl]acetamide
CID 146763683
2-(3,4-dimethylphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 8961470
4-[(3-hydroxy-4-methoxyphenyl)methylamino]-3-methyl-N-(1,3-thiazol-2-yl)cyclohexa-1,5-diene-1-sulfonamide
CID 170288143
methyl 3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylate
CID 25044512
2-fluoro-5-(propylaminomethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 106031681
2-methoxy-4,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110440479

Frequently Asked Questions

What is the IUPAC name of 4-[4-(fluoromethyl)-2-methoxyphenyl]-6-methyl-N-(1,3-thiazol-2-yl)quinoline-7-sulfonamide?
The IUPAC name of 4-[4-(fluoromethyl)-2-methoxyphenyl]-6-methyl-N-(1,3-thiazol-2-yl)quinoline-7-sulfonamide (CID 118026696) is 4-[4-(fluoromethyl)-2-methoxyphenyl]-6-methyl-N-(1,3-thiazol-2-yl)quinoline-7-sulfonamide.
What is the SMILES notation for 4-[4-(fluoromethyl)-2-methoxyphenyl]-6-methyl-N-(1,3-thiazol-2-yl)quinoline-7-sulfonamide?
The canonical SMILES for 4-[4-(fluoromethyl)-2-methoxyphenyl]-6-methyl-N-(1,3-thiazol-2-yl)quinoline-7-sulfonamide is COc1cc(CF)ccc1-c1ccnc2cc(S(=O)(=O)Nc3nccs3)c(C)cc12.
What is the InChIKey of 4-[4-(fluoromethyl)-2-methoxyphenyl]-6-methyl-N-(1,3-thiazol-2-yl)quinoline-7-sulfonamide?
The InChIKey is FWNYDBLCQRITIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O3S2/c1-13-9-17-15(16-4-3-14(12-22)10-19(16)28-2)5-6-23-18(17)11-20(13)30(26,27)25-21-24-7-8-29-21/h3-11H,12H2,1-2H3,(H,24,25).
What are the key properties of 4-[4-(fluoromethyl)-2-methoxyphenyl]-6-methyl-N-(1,3-thiazol-2-yl)quinoline-7-sulfonamide?
4-[4-(fluoromethyl)-2-methoxyphenyl]-6-methyl-N-(1,3-thiazol-2-yl)quinoline-7-sulfonamide has a molecular weight of 443.53 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(fluoromethyl)-2-methoxyphenyl]-6-methyl-N-(1,3-thiazol-2-yl)quinoline-7-sulfonamide is sourced from PubChem (CID 118026696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).