5-chloro-2-[[3-(6-fluoro-2,3-dimethylphenyl)-1-hydrazinyl-1-oxobutan-2-yl]sulfamoyl]benzamide

C19H22ClFN4O4S — CID 155284348

IUPAC5-chloro-2-[[3-(6-fluoro-2,3-dimethylphenyl)-1-hydrazinyl-1-oxobutan-2-yl]sulfamoyl]benzamide
SMILESCc1ccc(F)c(C(C)C(NS(=O)(=O)c2ccc(Cl)cc2C(N)=O)C(=O)NN)c1C
InChIInChI=1S/C19H22ClFN4O4S/c1-9-4-6-14(21)16(10(9)2)11(3)17(19(27)24-23)25-30(28,29)15-7-5-12(20)8-13(15)18(22)26/h4-8,11,17,25H,23H2,1-3H3,(H2,22,26)(H,24,27)
InChIKeyVSGOEIHAMODNEC-UHFFFAOYSA-N
MW456.93 g/mol
LogP1.64
Rot. Bonds7

About 5-chloro-2-[[3-(6-fluoro-2,3-dimethylphenyl)-1-hydrazinyl-1-oxobutan-2-yl]sulfamoyl]benzamide

5-chloro-2-[[3-(6-fluoro-2,3-dimethylphenyl)-1-hydrazinyl-1-oxobutan-2-yl]sulfamoyl]benzamide (PubChem CID 155284348) has the molecular formula C19H22ClFN4O4S and a molecular weight of 456.93 g/mol. Its IUPAC name is 5-chloro-2-[[3-(6-fluoro-2,3-dimethylphenyl)-1-hydrazinyl-1-oxobutan-2-yl]sulfamoyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-[[3-(6-fluoro-2,3-dimethylphenyl)-1-hydrazinyl-1-oxobutan-2-yl]sulfamoyl]benzamide
PubChem CID155284348
Molecular FormulaC19H22ClFN4O4S
Molecular Weight456.93 g/mol
Exact Mass456.10
IUPAC Name5-chloro-2-[[3-(6-fluoro-2,3-dimethylphenyl)-1-hydrazinyl-1-oxobutan-2-yl]sulfamoyl]benzamide
SMILESCc1ccc(F)c(C(C)C(NS(=O)(=O)c2ccc(Cl)cc2C(N)=O)C(=O)NN)c1C
InChIInChI=1S/C19H22ClFN4O4S/c1-9-4-6-14(21)16(10(9)2)11(3)17(19(27)24-23)25-30(28,29)15-7-5-12(20)8-13(15)18(22)26/h4-8,11,17,25H,23H2,1-3H3,(H2,22,26)(H,24,27)
InChIKeyVSGOEIHAMODNEC-UHFFFAOYSA-N
XLogP1.64
TPSA144.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.93
LogP ≤ 51.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-[[(2S,3R)-3-(6-fluoro-2,3-dimethylphenyl)-1-hydrazinyl-1-oxobutan-2-yl]sulfamoyl]benzamide
CID 142600999
tert-butyl (2S)-2-[[4-chloro-2-hydroxy-5-(methoxymethyl)phenyl]sulfonylamino]-3-(6-fluoro-2,3-dimethylphenyl)butanoate
CID 171096758
2-[5-chloro-2-[[(1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(2H-tetrazol-5-yl)propyl]sulfamoyl]phenyl]acetamide
CID 171580476
carbamoyl 2-[[4-chloro-3-(1-hydroxyethyl)-2-methoxyphenyl]sulfonylamino]-3-(6-fluoro-2,3-dimethylphenyl)butanimidate
CID 155174354
2,5-dichloro-N-[(1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(2H-tetrazol-5-yl)propyl]benzenesulfonamide
CID 171580472
tert-butyl 3-(6-fluoro-2,3-dimethylphenyl)-2-[[4-(2-hydroxyethyl)-6-methyl-3-pyridinyl]sulfonylamino]butanoate
CID 167519086
4-chloro-2-cyano-N-[(1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(2H-tetrazol-5-yl)propyl]benzenesulfonamide
CID 164916689
2,5-dichloro-N-(1-hydrazinyl-1-oxopropan-2-yl)benzenesulfonamide
CID 4320202
(2S)-2-(7-chloro-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-2-yl)-3-(6-fluoro-2,3-dimethylphenyl)butanehydrazide
CID 167519240
5-chloro-2-[[(1S,2R)-2-(2-fluoro-4-methylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]sulfamoyl]benzamide
CID 154698744
2-[(2-amino-4-chlorophenyl)sulfonylamino]-3-methylbutanamide
CID 106343791
5-chloro-4-fluoro-2-[[2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]sulfamoyl]benzoic acid
CID 138520399

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[3-(6-fluoro-2,3-dimethylphenyl)-1-hydrazinyl-1-oxobutan-2-yl]sulfamoyl]benzamide?
The IUPAC name of 5-chloro-2-[[3-(6-fluoro-2,3-dimethylphenyl)-1-hydrazinyl-1-oxobutan-2-yl]sulfamoyl]benzamide (CID 155284348) is 5-chloro-2-[[3-(6-fluoro-2,3-dimethylphenyl)-1-hydrazinyl-1-oxobutan-2-yl]sulfamoyl]benzamide.
What is the SMILES notation for 5-chloro-2-[[3-(6-fluoro-2,3-dimethylphenyl)-1-hydrazinyl-1-oxobutan-2-yl]sulfamoyl]benzamide?
The canonical SMILES for 5-chloro-2-[[3-(6-fluoro-2,3-dimethylphenyl)-1-hydrazinyl-1-oxobutan-2-yl]sulfamoyl]benzamide is Cc1ccc(F)c(C(C)C(NS(=O)(=O)c2ccc(Cl)cc2C(N)=O)C(=O)NN)c1C.
What is the InChIKey of 5-chloro-2-[[3-(6-fluoro-2,3-dimethylphenyl)-1-hydrazinyl-1-oxobutan-2-yl]sulfamoyl]benzamide?
The InChIKey is VSGOEIHAMODNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN4O4S/c1-9-4-6-14(21)16(10(9)2)11(3)17(19(27)24-23)25-30(28,29)15-7-5-12(20)8-13(15)18(22)26/h4-8,11,17,25H,23H2,1-3H3,(H2,22,26)(H,24,27).
What are the key properties of 5-chloro-2-[[3-(6-fluoro-2,3-dimethylphenyl)-1-hydrazinyl-1-oxobutan-2-yl]sulfamoyl]benzamide?
5-chloro-2-[[3-(6-fluoro-2,3-dimethylphenyl)-1-hydrazinyl-1-oxobutan-2-yl]sulfamoyl]benzamide has a molecular weight of 456.93 g/mol, XLogP of 1.64, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[3-(6-fluoro-2,3-dimethylphenyl)-1-hydrazinyl-1-oxobutan-2-yl]sulfamoyl]benzamide is sourced from PubChem (CID 155284348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).