3-chloro-N-[4-[[4-chloro-2-(trifluoromethyl)phenyl]sulfamoyl]-2-fluorophenyl]benzamide

C20H12Cl2F4N2O3S — CID 18892877

IUPAC3-chloro-N-[4-[[4-chloro-2-(trifluoromethyl)phenyl]sulfamoyl]-2-fluorophenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1F)c1cccc(Cl)c1
InChIInChI=1S/C20H12Cl2F4N2O3S/c21-12-3-1-2-11(8-12)19(29)27-18-7-5-14(10-16(18)23)32(30,31)28-17-6-4-13(22)9-15(17)20(24,25)26/h1-10,28H,(H,27,29)
InChIKeyAHMLMIANLMOTSD-UHFFFAOYSA-N
MW507.29 g/mol
LogP6.20
Rot. Bonds5

About 3-chloro-N-[4-[[4-chloro-2-(trifluoromethyl)phenyl]sulfamoyl]-2-fluorophenyl]benzamide

3-chloro-N-[4-[[4-chloro-2-(trifluoromethyl)phenyl]sulfamoyl]-2-fluorophenyl]benzamide (PubChem CID 18892877) has the molecular formula C20H12Cl2F4N2O3S and a molecular weight of 507.29 g/mol. Its IUPAC name is 3-chloro-N-[4-[[4-chloro-2-(trifluoromethyl)phenyl]sulfamoyl]-2-fluorophenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-[[4-chloro-2-(trifluoromethyl)phenyl]sulfamoyl]-2-fluorophenyl]benzamide
PubChem CID18892877
Molecular FormulaC20H12Cl2F4N2O3S
Molecular Weight507.29 g/mol
Exact Mass505.99
IUPAC Name3-chloro-N-[4-[[4-chloro-2-(trifluoromethyl)phenyl]sulfamoyl]-2-fluorophenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1F)c1cccc(Cl)c1
InChIInChI=1S/C20H12Cl2F4N2O3S/c21-12-3-1-2-11(8-12)19(29)27-18-7-5-14(10-16(18)23)32(30,31)28-17-6-4-13(22)9-15(17)20(24,25)26/h1-10,28H,(H,27,29)
InChIKeyAHMLMIANLMOTSD-UHFFFAOYSA-N
XLogP6.20
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.29
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[2-fluoro-4-[(2-fluorophenyl)sulfamoyl]phenyl]benzamide
CID 18892781
3-chloro-N-[4-[(2,3-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892770
3-chloro-N-[2-fluoro-4-[(4-propan-2-ylphenyl)sulfamoyl]phenyl]benzamide
CID 18892779
3-chloro-N-[4-[(3,4-dichlorophenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892799
N-[4-(butan-2-ylsulfamoyl)-2-fluorophenyl]-3-chlorobenzamide
CID 18892739
4-chloro-N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]-2-fluorophenyl]benzamide
CID 18892646
4-chloro-N-[4-[(2,6-difluorophenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892640
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-iodobenzamide
CID 2296321
N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801878
3-chloro-N-[2-fluoro-4-(furan-2-ylmethylsulfamoyl)phenyl]benzamide
CID 18892761
3,5-dichloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 5005138
4-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892610

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[[4-chloro-2-(trifluoromethyl)phenyl]sulfamoyl]-2-fluorophenyl]benzamide?
The IUPAC name of 3-chloro-N-[4-[[4-chloro-2-(trifluoromethyl)phenyl]sulfamoyl]-2-fluorophenyl]benzamide (CID 18892877) is 3-chloro-N-[4-[[4-chloro-2-(trifluoromethyl)phenyl]sulfamoyl]-2-fluorophenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[4-[[4-chloro-2-(trifluoromethyl)phenyl]sulfamoyl]-2-fluorophenyl]benzamide?
The canonical SMILES for 3-chloro-N-[4-[[4-chloro-2-(trifluoromethyl)phenyl]sulfamoyl]-2-fluorophenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1F)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[4-[[4-chloro-2-(trifluoromethyl)phenyl]sulfamoyl]-2-fluorophenyl]benzamide?
The InChIKey is AHMLMIANLMOTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2F4N2O3S/c21-12-3-1-2-11(8-12)19(29)27-18-7-5-14(10-16(18)23)32(30,31)28-17-6-4-13(22)9-15(17)20(24,25)26/h1-10,28H,(H,27,29).
What are the key properties of 3-chloro-N-[4-[[4-chloro-2-(trifluoromethyl)phenyl]sulfamoyl]-2-fluorophenyl]benzamide?
3-chloro-N-[4-[[4-chloro-2-(trifluoromethyl)phenyl]sulfamoyl]-2-fluorophenyl]benzamide has a molecular weight of 507.29 g/mol, XLogP of 6.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-[[4-chloro-2-(trifluoromethyl)phenyl]sulfamoyl]-2-fluorophenyl]benzamide is sourced from PubChem (CID 18892877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).