4-chloro-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide

C15H12ClN3O3S — CID 53098108

IUPAC4-chloro-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Cl)c(-c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C15H12ClN3O3S/c1-17-23(20,21)11-7-8-13(16)12(9-11)15-19-18-14(22-15)10-5-3-2-4-6-10/h2-9,17H,1H3
InChIKeyZDCWWTFSBPPXNW-UHFFFAOYSA-N
MW349.80 g/mol
LogP2.97
Rot. Bonds4

About 4-chloro-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide

4-chloro-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide (PubChem CID 53098108) has the molecular formula C15H12ClN3O3S and a molecular weight of 349.80 g/mol. Its IUPAC name is 4-chloro-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
PubChem CID53098108
Molecular FormulaC15H12ClN3O3S
Molecular Weight349.80 g/mol
Exact Mass349.03
IUPAC Name4-chloro-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Cl)c(-c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C15H12ClN3O3S/c1-17-23(20,21)11-7-8-13(16)12(9-11)15-19-18-14(22-15)10-5-3-2-4-6-10/h2-9,17H,1H3
InChIKeyZDCWWTFSBPPXNW-UHFFFAOYSA-N
XLogP2.97
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.80
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-ethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 53098111
4-[4-chloro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylmorpholine
CID 53097906
4-(benzylamino)-N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 155342969
4-(2-chlorophenyl)-N-methylbenzenesulfonamide
CID 174761183
1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-chloro-5-(methylsulfamoyl)benzoate
CID 43050802
3-(3,4-dichlorophenyl)sulfonyl-N-methylbenzenesulfonamide
CID 71590941
4-chloro-N,3-dimethylbenzenesulfonamide
CID 50876568
2-(2-chloro-5-thiomorpholin-4-ylsulfonylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 53098190
3-chloro-N-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-fluorobenzenesulfonamide
CID 92700767
3,4-dimethyl-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 20960148
ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943
2-phenyl-5-[3,10,11-tris(5-phenyl-1,3,4-oxadiazol-2-yl)tetraphenylen-2-yl]-1,3,4-oxadiazole
CID 59855596

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide (CID 53098108) is 4-chloro-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide is CNS(=O)(=O)c1ccc(Cl)c(-c2nnc(-c3ccccc3)o2)c1.
What is the InChIKey of 4-chloro-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The InChIKey is ZDCWWTFSBPPXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O3S/c1-17-23(20,21)11-7-8-13(16)12(9-11)15-19-18-14(22-15)10-5-3-2-4-6-10/h2-9,17H,1H3.
What are the key properties of 4-chloro-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
4-chloro-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide has a molecular weight of 349.80 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 53098108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).