4-chloro-2,5-difluoro-N-[4-(phenylsulfamoyl)phenyl]benzamide

C19H13ClF2N2O3S — CID 164620259

IUPAC4-chloro-2,5-difluoro-N-[4-(phenylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C19H13ClF2N2O3S/c20-16-11-17(21)15(10-18(16)22)19(25)23-12-6-8-14(9-7-12)28(26,27)24-13-4-2-1-3-5-13/h1-11,24H,(H,23,25)
InChIKeyWUGNNHAXQVIMBI-UHFFFAOYSA-N
MW422.84 g/mol
LogP4.67
Rot. Bonds5

About 4-chloro-2,5-difluoro-N-[4-(phenylsulfamoyl)phenyl]benzamide

4-chloro-2,5-difluoro-N-[4-(phenylsulfamoyl)phenyl]benzamide (PubChem CID 164620259) has the molecular formula C19H13ClF2N2O3S and a molecular weight of 422.84 g/mol. Its IUPAC name is 4-chloro-2,5-difluoro-N-[4-(phenylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-2,5-difluoro-N-[4-(phenylsulfamoyl)phenyl]benzamide
PubChem CID164620259
Molecular FormulaC19H13ClF2N2O3S
Molecular Weight422.84 g/mol
Exact Mass422.03
IUPAC Name4-chloro-2,5-difluoro-N-[4-(phenylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C19H13ClF2N2O3S/c20-16-11-17(21)15(10-18(16)22)19(25)23-12-6-8-14(9-7-12)28(26,27)24-13-4-2-1-3-5-13/h1-11,24H,(H,23,25)
InChIKeyWUGNNHAXQVIMBI-UHFFFAOYSA-N
XLogP4.67
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.84
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-Sulfamoyl-phenyl)-benzamide
CID 721954
Benzeneacetamide, N-(4-(aminosulfonyl)-2-chlorophenyl)-
CID 3051968
N-benzyl-2-(benzylamino)-4-chloro-5-sulfamoylbenzamide
CID 126508254
2,3,4,5,6-pentafluoro-N-(4-sulfamoylphenyl)benzamide
CID 4180608
2,4-dichloro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 5157334
(2E)-2-[(4-chlorophenyl)methylidene]-3-oxo-N-(4-sulfamoylphenyl)butanamide
CID 155527145
4-[[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]amino]benzenesulfonamide
CID 168278167
3-chloro-N-(4-sulfamoylphenyl)benzamide
CID 2455664
N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2,3,4,5-tetrafluorobenzamide
CID 4338027
4-{[N-(4-chlorobenzyl)-N-(phenylsulfonyl)glycyl]amino}benzamide
CID 1020207
3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-methylphenyl)benzamide
CID 1521223
2,3,4,5,6-pentafluoro-N-(4-{[(4-methylphenyl)sulfonyl]amino}phenyl)benzamide
CID 2181065

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-difluoro-N-[4-(phenylsulfamoyl)phenyl]benzamide?
The IUPAC name of 4-chloro-2,5-difluoro-N-[4-(phenylsulfamoyl)phenyl]benzamide (CID 164620259) is 4-chloro-2,5-difluoro-N-[4-(phenylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-2,5-difluoro-N-[4-(phenylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 4-chloro-2,5-difluoro-N-[4-(phenylsulfamoyl)phenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cc(F)c(Cl)cc1F.
What is the InChIKey of 4-chloro-2,5-difluoro-N-[4-(phenylsulfamoyl)phenyl]benzamide?
The InChIKey is WUGNNHAXQVIMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF2N2O3S/c20-16-11-17(21)15(10-18(16)22)19(25)23-12-6-8-14(9-7-12)28(26,27)24-13-4-2-1-3-5-13/h1-11,24H,(H,23,25).
What are the key properties of 4-chloro-2,5-difluoro-N-[4-(phenylsulfamoyl)phenyl]benzamide?
4-chloro-2,5-difluoro-N-[4-(phenylsulfamoyl)phenyl]benzamide has a molecular weight of 422.84 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-difluoro-N-[4-(phenylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 164620259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).