2-(4-fluorophenyl)-N-[2-methoxy-5-methyl-4-(methylsulfamoyl)phenyl]-1,3-thiazole-4-sulfonamide

C18H18FN3O5S3 — CID 167476455

IUPAC2-(4-fluorophenyl)-N-[2-methoxy-5-methyl-4-(methylsulfamoyl)phenyl]-1,3-thiazole-4-sulfonamide
SMILESCNS(=O)(=O)c1cc(OC)c(NS(=O)(=O)c2csc(-c3ccc(F)cc3)n2)cc1C
InChIInChI=1S/C18H18FN3O5S3/c1-11-8-14(15(27-3)9-16(11)29(23,24)20-2)22-30(25,26)17-10-28-18(21-17)12-4-6-13(19)7-5-12/h4-10,20,22H,1-3H3
InChIKeyJCIXKFZZIOYEEI-UHFFFAOYSA-N
MW471.56 g/mol
LogP2.98
Rot. Bonds7

About 2-(4-fluorophenyl)-N-[2-methoxy-5-methyl-4-(methylsulfamoyl)phenyl]-1,3-thiazole-4-sulfonamide

2-(4-fluorophenyl)-N-[2-methoxy-5-methyl-4-(methylsulfamoyl)phenyl]-1,3-thiazole-4-sulfonamide (PubChem CID 167476455) has the molecular formula C18H18FN3O5S3 and a molecular weight of 471.56 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-methoxy-5-methyl-4-(methylsulfamoyl)phenyl]-1,3-thiazole-4-sulfonamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-methoxy-5-methyl-4-(methylsulfamoyl)phenyl]-1,3-thiazole-4-sulfonamide
PubChem CID167476455
Molecular FormulaC18H18FN3O5S3
Molecular Weight471.56 g/mol
Exact Mass471.04
IUPAC Name2-(4-fluorophenyl)-N-[2-methoxy-5-methyl-4-(methylsulfamoyl)phenyl]-1,3-thiazole-4-sulfonamide
SMILESCNS(=O)(=O)c1cc(OC)c(NS(=O)(=O)c2csc(-c3ccc(F)cc3)n2)cc1C
InChIInChI=1S/C18H18FN3O5S3/c1-11-8-14(15(27-3)9-16(11)29(23,24)20-2)22-30(25,26)17-10-28-18(21-17)12-4-6-13(19)7-5-12/h4-10,20,22H,1-3H3
InChIKeyJCIXKFZZIOYEEI-UHFFFAOYSA-N
XLogP2.98
TPSA114.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-3-methoxy-N-methylsulfonylbenzamide
CID 167475461
4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-N-hydroxy-3-methoxy-N-methylbenzamide
CID 167476420
4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-2-methoxybenzoic acid
CID 168726509
2-fluoro-5-methoxy-4-[[2-(4-thiophen-2-ylphenyl)-1,3-thiazol-4-yl]sulfonylamino]benzoic acid
CID 167476080
N-(2,4-dihydroxyphenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-sulfonamide
CID 167475542
5-fluoro-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]benzoic acid
CID 51131753
2-fluoro-4-[[2-(4-isoquinolin-6-ylphenyl)-1,3-thiazol-4-yl]sulfonylamino]-5-methoxybenzoic acid
CID 167476300
2-(4-fluorophenyl)-N-(4-hydroxyphenyl)-1,3-thiazole-4-sulfonamide
CID 167476558
2-fluoro-5-methoxy-4-[[2-(4-spiro[3.5]nonan-7-ylphenyl)-1,3-thiazol-4-yl]sulfonylamino]benzoic acid
CID 168726330
3-cyclopropyl-4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]benzoic acid
CID 167476003
4-[[2-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)phenyl]-1,3-thiazol-4-yl]sulfonylamino]-2-fluoro-5-methoxybenzoic acid
CID 168726464
2-fluoro-4-[[2-[4-[4-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]sulfonylamino]-5-methoxybenzoic acid
CID 167475636

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[2-methoxy-5-methyl-4-(methylsulfamoyl)phenyl]-1,3-thiazole-4-sulfonamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-methoxy-5-methyl-4-(methylsulfamoyl)phenyl]-1,3-thiazole-4-sulfonamide (CID 167476455) is 2-(4-fluorophenyl)-N-[2-methoxy-5-methyl-4-(methylsulfamoyl)phenyl]-1,3-thiazole-4-sulfonamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-methoxy-5-methyl-4-(methylsulfamoyl)phenyl]-1,3-thiazole-4-sulfonamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-methoxy-5-methyl-4-(methylsulfamoyl)phenyl]-1,3-thiazole-4-sulfonamide is CNS(=O)(=O)c1cc(OC)c(NS(=O)(=O)c2csc(-c3ccc(F)cc3)n2)cc1C.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-methoxy-5-methyl-4-(methylsulfamoyl)phenyl]-1,3-thiazole-4-sulfonamide?
The InChIKey is JCIXKFZZIOYEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O5S3/c1-11-8-14(15(27-3)9-16(11)29(23,24)20-2)22-30(25,26)17-10-28-18(21-17)12-4-6-13(19)7-5-12/h4-10,20,22H,1-3H3.
What are the key properties of 2-(4-fluorophenyl)-N-[2-methoxy-5-methyl-4-(methylsulfamoyl)phenyl]-1,3-thiazole-4-sulfonamide?
2-(4-fluorophenyl)-N-[2-methoxy-5-methyl-4-(methylsulfamoyl)phenyl]-1,3-thiazole-4-sulfonamide has a molecular weight of 471.56 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[2-methoxy-5-methyl-4-(methylsulfamoyl)phenyl]-1,3-thiazole-4-sulfonamide is sourced from PubChem (CID 167476455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).