5-chloro-2-[[(1S,2R)-2-(2-fluoro-4-methylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]sulfamoyl]benzamide

C19H18ClFN4O5S — CID 154698744

IUPAC5-chloro-2-[[(1S,2R)-2-(2-fluoro-4-methylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]sulfamoyl]benzamide
SMILESCc1ccc([C@@H](C)[C@H](NS(=O)(=O)c2ccc(Cl)cc2C(N)=O)c2n[nH]c(=O)o2)c(F)c1
InChIInChI=1S/C19H18ClFN4O5S/c1-9-3-5-12(14(21)7-9)10(2)16(18-23-24-19(27)30-18)25-31(28,29)15-6-4-11(20)8-13(15)17(22)26/h3-8,10,16,25H,1-2H3,(H2,22,26)(H,24,27)/t10-,16+/m1/s1
InChIKeyBLOUKGLDMOYFJJ-HWPZZCPQSA-N
MW468.89 g/mol
LogP2.39
Rot. Bonds7

About 5-chloro-2-[[(1S,2R)-2-(2-fluoro-4-methylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]sulfamoyl]benzamide

5-chloro-2-[[(1S,2R)-2-(2-fluoro-4-methylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]sulfamoyl]benzamide (PubChem CID 154698744) has the molecular formula C19H18ClFN4O5S and a molecular weight of 468.89 g/mol. Its IUPAC name is 5-chloro-2-[[(1S,2R)-2-(2-fluoro-4-methylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]sulfamoyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-[[(1S,2R)-2-(2-fluoro-4-methylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]sulfamoyl]benzamide
PubChem CID154698744
Molecular FormulaC19H18ClFN4O5S
Molecular Weight468.89 g/mol
Exact Mass468.07
IUPAC Name5-chloro-2-[[(1S,2R)-2-(2-fluoro-4-methylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]sulfamoyl]benzamide
SMILESCc1ccc([C@@H](C)[C@H](NS(=O)(=O)c2ccc(Cl)cc2C(N)=O)c2n[nH]c(=O)o2)c(F)c1
InChIInChI=1S/C19H18ClFN4O5S/c1-9-3-5-12(14(21)7-9)10(2)16(18-23-24-19(27)30-18)25-31(28,29)15-6-4-11(20)8-13(15)17(22)26/h3-8,10,16,25H,1-2H3,(H2,22,26)(H,24,27)/t10-,16+/m1/s1
InChIKeyBLOUKGLDMOYFJJ-HWPZZCPQSA-N
XLogP2.39
TPSA148.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.89
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-2-[[(1R,2R)-2-(3-chloro-6-fluoro-2-methylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]sulfamoyl]pyridine-3-carboxamide
CID 138520281
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
N-[2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]-4-methylbenzenesulfonamide
CID 138520677
4-chloro-N-[(1S,2R)-2-[6-fluoro-3-(6-methoxy-3-pyridinyl)-2-methylphenyl]-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]-2-methoxybenzenesulfonamide
CID 138520704
4-chloro-N-[(1S)-2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]-2-(2-hydroxy-1-phenylmethoxyethyl)benzenesulfonamide
CID 167519228
N-[2-(3-chloro-6-fluoro-2-methylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]-5-fluoro-4-hydroxy-4-methyl-2,3-dihydrochromene-8-sulfonamide
CID 138520274
5-chloro-N-[(1S,2R)-2-(3-chloro-6-fluoro-2-methylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]-4-hydroxy-4-methyl-2,3-dihydrochromene-8-sulfonamide
CID 138520294
3-acetyl-4-chloro-N-[2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]-2-methoxybenzenesulfonamide
CID 138520692
4-chloro-N-[2-(3-ethyl-6-fluoro-2-methylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]-3-(1-hydroxyethyl)-2-methoxybenzenesulfonamide
CID 138520540
5-chloro-N-[(1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]-3,4-dihydro-2H-1,4-benzoxazine-8-sulfonamide
CID 138520632
N-[2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]-2H-benzotriazole-5-sulfonamide
CID 138520556
4-chloro-N-[[2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]sulfamoyl]benzenecarbothioamide
CID 174219029

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[(1S,2R)-2-(2-fluoro-4-methylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]sulfamoyl]benzamide?
The IUPAC name of 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) is 5-chloro-2-[[(1S,2R)-2-(2-fluoro-4-methylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]sulfamoyl]benzamide.
What is the SMILES notation for 5-chloro-2-[[(1S,2R)-2-(2-fluoro-4-methylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]sulfamoyl]benzamide?
The canonical SMILES for 5-chloro-2-[[(1S,2R)-2-(2-fluoro-4-methylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]sulfamoyl]benzamide is Cc1ccc([C@@H](C)[C@H](NS(=O)(=O)c2ccc(Cl)cc2C(N)=O)c2n[nH]c(=O)o2)c(F)c1.
What is the InChIKey of 5-chloro-2-[[(1S,2R)-2-(2-fluoro-4-methylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]sulfamoyl]benzamide?
The InChIKey is BLOUKGLDMOYFJJ-HWPZZCPQSA-N. The full InChI is InChI=1S/C19H18ClFN4O5S/c1-9-3-5-12(14(21)7-9)10(2)16(18-23-24-19(27)30-18)25-31(28,29)15-6-4-11(20)8-13(15)17(22)26/h3-8,10,16,25H,1-2H3,(H2,22,26)(H,24,27)/t10-,16+/m1/s1.
What are the key properties of 5-chloro-2-[[(1S,2R)-2-(2-fluoro-4-methylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]sulfamoyl]benzamide?
5-chloro-2-[[(1S,2R)-2-(2-fluoro-4-methylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]sulfamoyl]benzamide has a molecular weight of 468.89 g/mol, XLogP of 2.39, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[(1S,2R)-2-(2-fluoro-4-methylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]sulfamoyl]benzamide is sourced from PubChem (CID 154698744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).