5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]benzene-1,3-dicarboxamide

C15H11ClF3N3O4S — CID 2101092

IUPAC5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]benzene-1,3-dicarboxamide
SMILESNC(=O)c1cc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc(C(N)=O)c1
InChIInChI=1S/C15H11ClF3N3O4S/c16-11-2-1-9(15(17,18)19)6-12(11)27(25,26)22-10-4-7(13(20)23)3-8(5-10)14(21)24/h1-6,22H,(H2,20,23)(H2,21,24)
InChIKeyODGPBQRHMUDNLF-UHFFFAOYSA-N
MW421.78 g/mol
LogP2.36
Rot. Bonds5

About 5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]benzene-1,3-dicarboxamide

5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]benzene-1,3-dicarboxamide (PubChem CID 2101092) has the molecular formula C15H11ClF3N3O4S and a molecular weight of 421.78 g/mol. Its IUPAC name is 5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]benzene-1,3-dicarboxamide
PubChem CID2101092
Molecular FormulaC15H11ClF3N3O4S
Molecular Weight421.78 g/mol
Exact Mass421.01
IUPAC Name5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]benzene-1,3-dicarboxamide
SMILESNC(=O)c1cc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc(C(N)=O)c1
InChIInChI=1S/C15H11ClF3N3O4S/c16-11-2-1-9(15(17,18)19)6-12(11)27(25,26)22-10-4-7(13(20)23)3-8(5-10)14(21)24/h1-6,22H,(H2,20,23)(H2,21,24)
InChIKeyODGPBQRHMUDNLF-UHFFFAOYSA-N
XLogP2.36
TPSA132.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.78
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(3,5-difluorophenyl)-5-(trifluoromethyl)benzenesulfonamide
CID 35955999
3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 24602856
2-chloro-N-[3-(2H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 8823439
2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 78785998
2-chloro-N-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)benzenesulfonamide
CID 51557780
N-[4-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-3-(trifluoromethyl)phenyl]acetamide
CID 24591375
1-tert-butyl-3-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylurea
CID 90007957
2-chloro-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 41159278
2-chloro-5-(trifluoromethyl)benzamide;dihydrochloride
CID 22563834
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 1266797
2-chloro-5-(trifluoromethyl)-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 26969725
sodium 2-chloro-5-(trifluoromethyl)benzenesulfonate
CID 50998749

Frequently Asked Questions

What is the IUPAC name of 5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]benzene-1,3-dicarboxamide?
The IUPAC name of 5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]benzene-1,3-dicarboxamide (CID 2101092) is 5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]benzene-1,3-dicarboxamide.
What is the SMILES notation for 5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]benzene-1,3-dicarboxamide?
The canonical SMILES for 5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]benzene-1,3-dicarboxamide is NC(=O)c1cc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc(C(N)=O)c1.
What is the InChIKey of 5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]benzene-1,3-dicarboxamide?
The InChIKey is ODGPBQRHMUDNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3N3O4S/c16-11-2-1-9(15(17,18)19)6-12(11)27(25,26)22-10-4-7(13(20)23)3-8(5-10)14(21)24/h1-6,22H,(H2,20,23)(H2,21,24).
What are the key properties of 5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]benzene-1,3-dicarboxamide?
5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]benzene-1,3-dicarboxamide has a molecular weight of 421.78 g/mol, XLogP of 2.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]benzene-1,3-dicarboxamide is sourced from PubChem (CID 2101092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).