N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethyl-5-sulfamoylbenzamide

C18H16FN3O3S2 — CID 78828075

IUPACN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethyl-5-sulfamoylbenzamide
SMILESCc1cc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C18H16FN3O3S2/c1-10-7-13(8-16(11(10)2)27(20,24)25)17(23)22-18-21-15(9-26-18)12-3-5-14(19)6-4-12/h3-9H,1-2H3,(H2,20,24,25)(H,21,22,23)
InChIKeyRDJDQPHOKZVBIO-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.47
Rot. Bonds4

About N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethyl-5-sulfamoylbenzamide

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethyl-5-sulfamoylbenzamide (PubChem CID 78828075) has the molecular formula C18H16FN3O3S2 and a molecular weight of 405.48 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethyl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethyl-5-sulfamoylbenzamide
PubChem CID78828075
Molecular FormulaC18H16FN3O3S2
Molecular Weight405.48 g/mol
Exact Mass405.06
IUPAC NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethyl-5-sulfamoylbenzamide
SMILESCc1cc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C18H16FN3O3S2/c1-10-7-13(8-16(11(10)2)27(20,24)25)17(23)22-18-21-15(9-26-18)12-3-5-14(19)6-4-12/h3-9H,1-2H3,(H2,20,24,25)(H,21,22,23)
InChIKeyRDJDQPHOKZVBIO-UHFFFAOYSA-N
XLogP3.47
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetamido-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 2090772
4-(ethylsulfamoyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 78828085
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 7948246
2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide
CID 26066659
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 16809683
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide
CID 16820840
3,5-dichloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2562898
2-ethylsulfonyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 7578632
methyl 4-[2-[[4-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-1,3-thiazol-4-yl]benzoate
CID 121044368
4-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 26066731
2,5-difluoro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 46667765
4-[butyl(methyl)sulfamoyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 5129133

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethyl-5-sulfamoylbenzamide?
The IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethyl-5-sulfamoylbenzamide (CID 78828075) is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethyl-5-sulfamoylbenzamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethyl-5-sulfamoylbenzamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethyl-5-sulfamoylbenzamide is Cc1cc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc(S(N)(=O)=O)c1C.
What is the InChIKey of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethyl-5-sulfamoylbenzamide?
The InChIKey is RDJDQPHOKZVBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3S2/c1-10-7-13(8-16(11(10)2)27(20,24)25)17(23)22-18-21-15(9-26-18)12-3-5-14(19)6-4-12/h3-9H,1-2H3,(H2,20,24,25)(H,21,22,23).
What are the key properties of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethyl-5-sulfamoylbenzamide?
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethyl-5-sulfamoylbenzamide has a molecular weight of 405.48 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethyl-5-sulfamoylbenzamide is sourced from PubChem (CID 78828075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).