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

C20H12Cl2F4N2O3S — CID 18892646

IUPAC4-chloro-N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]-2-fluorophenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1F)c1ccc(Cl)cc1
InChIInChI=1S/C20H12Cl2F4N2O3S/c21-12-3-1-11(2-4-12)19(29)27-18-8-6-14(10-17(18)23)32(30,31)28-13-5-7-16(22)15(9-13)20(24,25)26/h1-10,28H,(H,27,29)
InChIKeyVTMYIPWGINOJSQ-UHFFFAOYSA-N
MW507.29 g/mol
LogP6.20
Rot. Bonds5

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

4-chloro-N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]-2-fluorophenyl]benzamide (PubChem CID 18892646) has the molecular formula C20H12Cl2F4N2O3S and a molecular weight of 507.29 g/mol. Its IUPAC name is 4-chloro-N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]-2-fluorophenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]-2-fluorophenyl]benzamide
PubChem CID18892646
Molecular FormulaC20H12Cl2F4N2O3S
Molecular Weight507.29 g/mol
Exact Mass505.99
IUPAC Name4-chloro-N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]-2-fluorophenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1F)c1ccc(Cl)cc1
InChIInChI=1S/C20H12Cl2F4N2O3S/c21-12-3-1-11(2-4-12)19(29)27-18-8-6-14(10-17(18)23)32(30,31)28-13-5-7-16(22)15(9-13)20(24,25)26/h1-10,28H,(H,27,29)
InChIKeyVTMYIPWGINOJSQ-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

N-(4-chloro-2-fluorophenyl)-4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzamide
CID 26696432
3-chloro-N-[4-[(3,4-dichlorophenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892799
4-chloro-N-[4-[(2,6-difluorophenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892640
4-acetyl-N-[4-chloro-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3712416
4-chloro-N-[2-fluoro-4-[(3-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 18892649
3-chloro-N-[4-[[4-chloro-2-(trifluoromethyl)phenyl]sulfamoyl]-2-fluorophenyl]benzamide
CID 18892877
4-fluoro-N-[2-fluoro-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 18893459
4-chloro-N-[4-(cyclopentylsulfamoyl)-2-fluorophenyl]benzamide
CID 18892580
4-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892610
4-chloro-N-[4-(cyclohexylsulfamoyl)-2-fluorophenyl]benzamide
CID 18892581
4-chloro-N-[4-(cyclooctylsulfamoyl)-2-fluorophenyl]benzamide
CID 18892724
4-chloro-N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-3-(phenylsulfamoyl)benzamide
CID 5041241

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]-2-fluorophenyl]benzamide?
The IUPAC name of 4-chloro-N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]-2-fluorophenyl]benzamide (CID 18892646) is 4-chloro-N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]-2-fluorophenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]-2-fluorophenyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]-2-fluorophenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1F)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]-2-fluorophenyl]benzamide?
The InChIKey is VTMYIPWGINOJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2F4N2O3S/c21-12-3-1-11(2-4-12)19(29)27-18-8-6-14(10-17(18)23)32(30,31)28-13-5-7-16(22)15(9-13)20(24,25)26/h1-10,28H,(H,27,29).
What are the key properties of 4-chloro-N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]-2-fluorophenyl]benzamide?
4-chloro-N-[4-[[4-chloro-3-(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 4-chloro-N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]-2-fluorophenyl]benzamide is sourced from PubChem (CID 18892646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).