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

C20H13F5N2O3S — CID 18893459

IUPAC4-fluoro-N-[2-fluoro-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1F)c1ccc(F)cc1
InChIInChI=1S/C20H13F5N2O3S/c21-14-6-4-12(5-7-14)19(28)26-18-9-8-16(11-17(18)22)31(29,30)27-15-3-1-2-13(10-15)20(23,24)25/h1-11,27H,(H,26,28)
InChIKeyMPWFKSKSNRCQBN-UHFFFAOYSA-N
MW456.39 g/mol
LogP5.04
Rot. Bonds5

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

4-fluoro-N-[2-fluoro-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide (PubChem CID 18893459) has the molecular formula C20H13F5N2O3S and a molecular weight of 456.39 g/mol. Its IUPAC name is 4-fluoro-N-[2-fluoro-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-fluoro-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
PubChem CID18893459
Molecular FormulaC20H13F5N2O3S
Molecular Weight456.39 g/mol
Exact Mass456.06
IUPAC Name4-fluoro-N-[2-fluoro-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1F)c1ccc(F)cc1
InChIInChI=1S/C20H13F5N2O3S/c21-14-6-4-12(5-7-14)19(28)26-18-9-8-16(11-17(18)22)31(29,30)27-15-3-1-2-13(10-15)20(23,24)25/h1-11,27H,(H,26,28)
InChIKeyMPWFKSKSNRCQBN-UHFFFAOYSA-N
XLogP5.04
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.39
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[2-fluoro-4-[(3-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 18893464
3-[(4-fluorophenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 17424474
N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 4875220
4-chloro-N-[2-fluoro-4-[(3-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 18892649
4-nitro-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 26593345
4-chloro-N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]-2-fluorophenyl]benzamide
CID 18892646
N-pyridin-2-yl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 24538181
4-[(4-fluorophenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26667215
2-fluoro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate
CID 5203374
4-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892610
4-chloro-N-[4-[(2,6-difluorophenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892640
N-propyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 26823127

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-fluoro-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-fluoro-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide (CID 18893459) is 4-fluoro-N-[2-fluoro-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-fluoro-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-fluoro-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1F)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-fluoro-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide?
The InChIKey is MPWFKSKSNRCQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F5N2O3S/c21-14-6-4-12(5-7-14)19(28)26-18-9-8-16(11-17(18)22)31(29,30)27-15-3-1-2-13(10-15)20(23,24)25/h1-11,27H,(H,26,28).
What are the key properties of 4-fluoro-N-[2-fluoro-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide?
4-fluoro-N-[2-fluoro-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide has a molecular weight of 456.39 g/mol, XLogP of 5.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-fluoro-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 18893459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).