N-(3-chlorophenyl)-3-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide

C18H13ClN4O4S — CID 166213096

IUPACN-(3-chlorophenyl)-3-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(Cl)c1)c1cccc(-c2nc(Cc3ccno3)no2)c1
InChIInChI=1S/C18H13ClN4O4S/c19-13-4-2-5-14(10-13)23-28(24,25)16-6-1-3-12(9-16)18-21-17(22-27-18)11-15-7-8-20-26-15/h1-10,23H,11H2
InChIKeyWFPFWSCLAILCBM-UHFFFAOYSA-N
MW416.85 g/mol
LogP3.77
Rot. Bonds6

About N-(3-chlorophenyl)-3-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide

N-(3-chlorophenyl)-3-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide (PubChem CID 166213096) has the molecular formula C18H13ClN4O4S and a molecular weight of 416.85 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
PubChem CID166213096
Molecular FormulaC18H13ClN4O4S
Molecular Weight416.85 g/mol
Exact Mass416.03
IUPAC NameN-(3-chlorophenyl)-3-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(Cl)c1)c1cccc(-c2nc(Cc3ccno3)no2)c1
InChIInChI=1S/C18H13ClN4O4S/c19-13-4-2-5-14(10-13)23-28(24,25)16-6-1-3-12(9-16)18-21-17(22-27-18)11-15-7-8-20-26-15/h1-10,23H,11H2
InChIKeyWFPFWSCLAILCBM-UHFFFAOYSA-N
XLogP3.77
TPSA111.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.85
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-N-(2-chlorophenyl)benzenesulfonamide
CID 167783590
3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)benzenesulfonamide
CID 138008041
3-chloro-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110643674
3,4-dichloro-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110418417
N-ethyl-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide
CID 120867248
4-fluoro-3-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110643729
N-tert-butyl-3-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide
CID 166213390
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-fluorobenzenesulfonamide
CID 26967322
6-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 155956968
3-amino-N-(3-chlorophenyl)benzenesulfonamide
CID 3828479
N-tert-butyl-3-[3-(1,2-oxazol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
CID 166213767
N-(3-chlorophenyl)-4-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 51043927

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide?
The IUPAC name of N-(3-chlorophenyl)-3-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide (CID 166213096) is N-(3-chlorophenyl)-3-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-3-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide is O=S(=O)(Nc1cccc(Cl)c1)c1cccc(-c2nc(Cc3ccno3)no2)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide?
The InChIKey is WFPFWSCLAILCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O4S/c19-13-4-2-5-14(10-13)23-28(24,25)16-6-1-3-12(9-16)18-21-17(22-27-18)11-15-7-8-20-26-15/h1-10,23H,11H2.
What are the key properties of N-(3-chlorophenyl)-3-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide?
N-(3-chlorophenyl)-3-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide has a molecular weight of 416.85 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 166213096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).