2-chloro-4-fluoro-N-(1,3,6-trimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)benzamide

C16H15ClFN3O3S — CID 121018659

IUPAC2-chloro-4-fluoro-N-(1,3,6-trimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)benzamide
SMILESCc1cc2c(cc1NC(=O)c1ccc(F)cc1Cl)N(C)S(=O)(=O)N2C
InChIInChI=1S/C16H15ClFN3O3S/c1-9-6-14-15(21(3)25(23,24)20(14)2)8-13(9)19-16(22)11-5-4-10(18)7-12(11)17/h4-8H,1-3H3,(H,19,22)
InChIKeyHFMIIRGECGAMHM-UHFFFAOYSA-N
MW383.83 g/mol
LogP3.17
Rot. Bonds2

About 2-chloro-4-fluoro-N-(1,3,6-trimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)benzamide

2-chloro-4-fluoro-N-(1,3,6-trimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)benzamide (PubChem CID 121018659) has the molecular formula C16H15ClFN3O3S and a molecular weight of 383.83 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-(1,3,6-trimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-(1,3,6-trimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)benzamide
PubChem CID121018659
Molecular FormulaC16H15ClFN3O3S
Molecular Weight383.83 g/mol
Exact Mass383.05
IUPAC Name2-chloro-4-fluoro-N-(1,3,6-trimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)benzamide
SMILESCc1cc2c(cc1NC(=O)c1ccc(F)cc1Cl)N(C)S(=O)(=O)N2C
InChIInChI=1S/C16H15ClFN3O3S/c1-9-6-14-15(21(3)25(23,24)20(14)2)8-13(9)19-16(22)11-5-4-10(18)7-12(11)17/h4-8H,1-3H3,(H,19,22)
InChIKeyHFMIIRGECGAMHM-UHFFFAOYSA-N
XLogP3.17
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.83
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 6468797
2,4-dichloro-N-(5-fluoro-2-methylphenyl)benzamide
CID 804177
2-chloro-N-(2,5-difluorophenyl)-4-fluorobenzamide
CID 26361023
2-chloro-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-fluorobenzamide
CID 35355092
N-(2-amino-4-methylphenyl)-2-chloro-4-fluorobenzamide
CID 43259104
2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-fluorobenzamide
CID 26522089
N-(3-benzamido-2-methylphenyl)-2-chloro-4-fluorobenzamide
CID 55900045
methyl 2-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 17418027
2-chloro-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-4-fluorobenzamide
CID 55377398
2-chloro-4-fluoro-N-[2-fluoro-3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide
CID 58997345
N-(2-amino-6-methylphenyl)-2-chloro-4-fluorobenzamide
CID 43330061
2,5-dichloro-N-(4-fluoro-2-methylphenyl)pyridine-4-carboxamide
CID 114917077

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-(1,3,6-trimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-(1,3,6-trimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)benzamide (CID 121018659) is 2-chloro-4-fluoro-N-(1,3,6-trimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-(1,3,6-trimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-(1,3,6-trimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)benzamide is Cc1cc2c(cc1NC(=O)c1ccc(F)cc1Cl)N(C)S(=O)(=O)N2C.
What is the InChIKey of 2-chloro-4-fluoro-N-(1,3,6-trimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)benzamide?
The InChIKey is HFMIIRGECGAMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3O3S/c1-9-6-14-15(21(3)25(23,24)20(14)2)8-13(9)19-16(22)11-5-4-10(18)7-12(11)17/h4-8H,1-3H3,(H,19,22).
What are the key properties of 2-chloro-4-fluoro-N-(1,3,6-trimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)benzamide?
2-chloro-4-fluoro-N-(1,3,6-trimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)benzamide has a molecular weight of 383.83 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-(1,3,6-trimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)benzamide is sourced from PubChem (CID 121018659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).