4-chloro-3-(dimethylsulfamoyl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide

C19H17ClFN3O4S2 — CID 55777273

IUPAC4-chloro-3-(dimethylsulfamoyl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(F)cc1-c1csc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)n1
InChIInChI=1S/C19H17ClFN3O4S2/c1-24(2)30(26,27)17-8-11(4-6-14(17)20)18(25)23-19-22-15(10-29-19)13-9-12(21)5-7-16(13)28-3/h4-10H,1-3H3,(H,22,23,25)
InChIKeyFOPQOQCMGPJSIW-UHFFFAOYSA-N
MW469.95 g/mol
LogP4.11
Rot. Bonds6

About 4-chloro-3-(dimethylsulfamoyl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide

4-chloro-3-(dimethylsulfamoyl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 55777273) has the molecular formula C19H17ClFN3O4S2 and a molecular weight of 469.95 g/mol. Its IUPAC name is 4-chloro-3-(dimethylsulfamoyl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-3-(dimethylsulfamoyl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID55777273
Molecular FormulaC19H17ClFN3O4S2
Molecular Weight469.95 g/mol
Exact Mass469.03
IUPAC Name4-chloro-3-(dimethylsulfamoyl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(F)cc1-c1csc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)n1
InChIInChI=1S/C19H17ClFN3O4S2/c1-24(2)30(26,27)17-8-11(4-6-14(17)20)18(25)23-19-22-15(10-29-19)13-9-12(21)5-7-16(13)28-3/h4-10H,1-3H3,(H,22,23,25)
InChIKeyFOPQOQCMGPJSIW-UHFFFAOYSA-N
XLogP4.11
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.95
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(dimethylsulfamoyl)benzamide
CID 26115626
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(dimethylsulfamoyl)-4-fluorobenzamide
CID 52651915
5-chloro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 55722986
N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide
CID 119046187
3-bromo-5-fluoro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 55722696
4-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(dimethylsulfamoyl)benzamide
CID 33302522
N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-methylpropanoylamino)benzamide
CID 55722730
N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 55722692
2-chloro-4-fluoro-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 26723626
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-fluoro-2-methoxybenzamide
CID 31116741
2-chloro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-nitrobenzamide
CID 55722787
3-(azepan-1-ylsulfonyl)-4-chloro-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 16561590

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(dimethylsulfamoyl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-chloro-3-(dimethylsulfamoyl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide (CID 55777273) is 4-chloro-3-(dimethylsulfamoyl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-chloro-3-(dimethylsulfamoyl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-chloro-3-(dimethylsulfamoyl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide is COc1ccc(F)cc1-c1csc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)n1.
What is the InChIKey of 4-chloro-3-(dimethylsulfamoyl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is FOPQOQCMGPJSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O4S2/c1-24(2)30(26,27)17-8-11(4-6-14(17)20)18(25)23-19-22-15(10-29-19)13-9-12(21)5-7-16(13)28-3/h4-10H,1-3H3,(H,22,23,25).
What are the key properties of 4-chloro-3-(dimethylsulfamoyl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
4-chloro-3-(dimethylsulfamoyl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 469.95 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(dimethylsulfamoyl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 55777273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).