3-(benzylsulfamoyl)-4-chloro-N-(4-fluoro-3-nitrophenyl)benzamide

C20H15ClFN3O5S — CID 24635072

IUPAC3-(benzylsulfamoyl)-4-chloro-N-(4-fluoro-3-nitrophenyl)benzamide
SMILESO=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C20H15ClFN3O5S/c21-16-8-6-14(20(26)24-15-7-9-17(22)18(11-15)25(27)28)10-19(16)31(29,30)23-12-13-4-2-1-3-5-13/h1-11,23H,12H2,(H,24,26)
InChIKeyYAUZUXJLCBZPQM-UHFFFAOYSA-N
MW463.87 g/mol
LogP4.12
Rot. Bonds7

About 3-(benzylsulfamoyl)-4-chloro-N-(4-fluoro-3-nitrophenyl)benzamide

3-(benzylsulfamoyl)-4-chloro-N-(4-fluoro-3-nitrophenyl)benzamide (PubChem CID 24635072) has the molecular formula C20H15ClFN3O5S and a molecular weight of 463.87 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-4-chloro-N-(4-fluoro-3-nitrophenyl)benzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-4-chloro-N-(4-fluoro-3-nitrophenyl)benzamide
PubChem CID24635072
Molecular FormulaC20H15ClFN3O5S
Molecular Weight463.87 g/mol
Exact Mass463.04
IUPAC Name3-(benzylsulfamoyl)-4-chloro-N-(4-fluoro-3-nitrophenyl)benzamide
SMILESO=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C20H15ClFN3O5S/c21-16-8-6-14(20(26)24-15-7-9-17(22)18(11-15)25(27)28)10-19(16)31(29,30)23-12-13-4-2-1-3-5-13/h1-11,23H,12H2,(H,24,26)
InChIKeyYAUZUXJLCBZPQM-UHFFFAOYSA-N
XLogP4.12
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.87
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(benzylsulfamoyl)-4-chloro-N-[2-(2-nitroanilino)ethyl]benzamide
CID 26420445
3-(benzylsulfamoyl)-4-chloro-N-(4-methoxyphenyl)benzamide
CID 24536240
3-(chloromethyl)-N-(4-fluoro-3-nitrophenyl)benzamide
CID 43346938
4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(2-nitrophenyl)benzamide
CID 2909414
4-chloro-N-(3,4-difluorophenyl)-3-(phenylsulfamoyl)benzamide
CID 2304457
3-(benzylsulfamoyl)-4-chloro-N-pyridin-2-ylbenzamide
CID 60589876
N-benzyl-5-(2-bromoacetyl)-2-chlorobenzenesulfonamide
CID 21316702
3-(benzylsulfamoyl)-4-chloro-N-methoxybenzamide
CID 52563097
3,5-dichloro-N-(4-fluoro-3-nitrophenyl)benzamide
CID 3323861
N-(4-chloro-3-nitrophenyl)-4-[(2-phenylacetyl)amino]benzamide
CID 17119387
N-[2-(benzylamino)-2-oxoethyl]-3-(benzylsulfamoyl)-4-chlorobenzamide
CID 38639374
4-chloro-N-(3-chloro-4-fluorophenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 9165964

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-4-chloro-N-(4-fluoro-3-nitrophenyl)benzamide?
The IUPAC name of 3-(benzylsulfamoyl)-4-chloro-N-(4-fluoro-3-nitrophenyl)benzamide (CID 24635072) is 3-(benzylsulfamoyl)-4-chloro-N-(4-fluoro-3-nitrophenyl)benzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-4-chloro-N-(4-fluoro-3-nitrophenyl)benzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-4-chloro-N-(4-fluoro-3-nitrophenyl)benzamide is O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of 3-(benzylsulfamoyl)-4-chloro-N-(4-fluoro-3-nitrophenyl)benzamide?
The InChIKey is YAUZUXJLCBZPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3O5S/c21-16-8-6-14(20(26)24-15-7-9-17(22)18(11-15)25(27)28)10-19(16)31(29,30)23-12-13-4-2-1-3-5-13/h1-11,23H,12H2,(H,24,26).
What are the key properties of 3-(benzylsulfamoyl)-4-chloro-N-(4-fluoro-3-nitrophenyl)benzamide?
3-(benzylsulfamoyl)-4-chloro-N-(4-fluoro-3-nitrophenyl)benzamide has a molecular weight of 463.87 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfamoyl)-4-chloro-N-(4-fluoro-3-nitrophenyl)benzamide is sourced from PubChem (CID 24635072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).