N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(dimethylsulfamoyl)-4-fluorobenzamide

C18H15ClFN3O3S2 — CID 52651915

IUPACN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(dimethylsulfamoyl)-4-fluorobenzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)Nc2nc(-c3ccccc3Cl)cs2)ccc1F
InChIInChI=1S/C18H15ClFN3O3S2/c1-23(2)28(25,26)16-9-11(7-8-14(16)20)17(24)22-18-21-15(10-27-18)12-5-3-4-6-13(12)19/h3-10H,1-2H3,(H,21,22,24)
InChIKeyWKFCCGSVJDSTOO-UHFFFAOYSA-N
MW439.92 g/mol
LogP4.11
Rot. Bonds5

About N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(dimethylsulfamoyl)-4-fluorobenzamide

N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(dimethylsulfamoyl)-4-fluorobenzamide (PubChem CID 52651915) has the molecular formula C18H15ClFN3O3S2 and a molecular weight of 439.92 g/mol. Its IUPAC name is N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(dimethylsulfamoyl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(dimethylsulfamoyl)-4-fluorobenzamide
PubChem CID52651915
Molecular FormulaC18H15ClFN3O3S2
Molecular Weight439.92 g/mol
Exact Mass439.02
IUPAC NameN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(dimethylsulfamoyl)-4-fluorobenzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)Nc2nc(-c3ccccc3Cl)cs2)ccc1F
InChIInChI=1S/C18H15ClFN3O3S2/c1-23(2)28(25,26)16-9-11(7-8-14(16)20)17(24)22-18-21-15(10-27-18)12-5-3-4-6-13(12)19/h3-10H,1-2H3,(H,21,22,24)
InChIKeyWKFCCGSVJDSTOO-UHFFFAOYSA-N
XLogP4.11
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.92
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 19194946
4-chloro-3-(dimethylsulfamoyl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 55777273
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-methoxybenzamide
CID 7213251
4-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(dimethylsulfamoyl)benzamide
CID 33302522
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 19195203
N-(2,4-dichlorophenyl)-3-(dimethylsulfamoyl)-4-fluorobenzamide
CID 55792661
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 42993173
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 26066021
2,6-dichloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 35523547
4-chloro-N-[1-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 112760826
N-(4-acetyl-1,3-thiazol-2-yl)-3-(diethylsulfamoyl)-4-fluorobenzamide
CID 55435187

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(dimethylsulfamoyl)-4-fluorobenzamide?
The IUPAC name of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(dimethylsulfamoyl)-4-fluorobenzamide (CID 52651915) is N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(dimethylsulfamoyl)-4-fluorobenzamide.
What is the SMILES notation for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(dimethylsulfamoyl)-4-fluorobenzamide?
The canonical SMILES for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(dimethylsulfamoyl)-4-fluorobenzamide is CN(C)S(=O)(=O)c1cc(C(=O)Nc2nc(-c3ccccc3Cl)cs2)ccc1F.
What is the InChIKey of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(dimethylsulfamoyl)-4-fluorobenzamide?
The InChIKey is WKFCCGSVJDSTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O3S2/c1-23(2)28(25,26)16-9-11(7-8-14(16)20)17(24)22-18-21-15(10-27-18)12-5-3-4-6-13(12)19/h3-10H,1-2H3,(H,21,22,24).
What are the key properties of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(dimethylsulfamoyl)-4-fluorobenzamide?
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(dimethylsulfamoyl)-4-fluorobenzamide has a molecular weight of 439.92 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(dimethylsulfamoyl)-4-fluorobenzamide is sourced from PubChem (CID 52651915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).