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

C15H12ClN3O3S — CID 110643674

IUPAC3-chloro-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
SMILESCc1noc(-c2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)n1
InChIInChI=1S/C15H12ClN3O3S/c1-10-17-15(22-18-10)11-5-7-13(8-6-11)19-23(20,21)14-4-2-3-12(16)9-14/h2-9,19H,1H3
InChIKeyBJUPXSCOLQMSDI-UHFFFAOYSA-N
MW349.80 g/mol
LogP3.50
Rot. Bonds4

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

3-chloro-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide (PubChem CID 110643674) has the molecular formula C15H12ClN3O3S and a molecular weight of 349.80 g/mol. Its IUPAC name is 3-chloro-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
PubChem CID110643674
Molecular FormulaC15H12ClN3O3S
Molecular Weight349.80 g/mol
Exact Mass349.03
IUPAC Name3-chloro-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
SMILESCc1noc(-c2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)n1
InChIInChI=1S/C15H12ClN3O3S/c1-10-17-15(22-18-10)11-5-7-13(8-6-11)19-23(20,21)14-4-2-3-12(16)9-14/h2-9,19H,1H3
InChIKeyBJUPXSCOLQMSDI-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dichloro-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110418417
4-methoxy-3-methyl-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110643631
3-chloro-N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]benzenesulfonamide
CID 110642631
3-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 889559
4-fluoro-3-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110643729
3-chloro-5-methyl-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)naphthalen-2-yl]benzenesulfonamide
CID 143878913
5-chloro-2-methoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110418448
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-chlorobenzenesulfonamide
CID 18617374
2-methoxy-5-methyl-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110643633
3-chloro-N-[4-(diethylamino)phenyl]benzenesulfonamide
CID 3839904
2,4-dimethoxy-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110643635
N-(4-chlorophenyl)-3-methylbenzenesulfonamide
CID 805135

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide (CID 110643674) is 3-chloro-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide is Cc1noc(-c2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)n1.
What is the InChIKey of 3-chloro-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide?
The InChIKey is BJUPXSCOLQMSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O3S/c1-10-17-15(22-18-10)11-5-7-13(8-6-11)19-23(20,21)14-4-2-3-12(16)9-14/h2-9,19H,1H3.
What are the key properties of 3-chloro-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide?
3-chloro-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide has a molecular weight of 349.80 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 110643674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).