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

C15H11Cl2N3O3S — CID 110418417

IUPAC3,4-dichloro-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
SMILESCc1noc(-c2cccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)n1
InChIInChI=1S/C15H11Cl2N3O3S/c1-9-18-15(23-19-9)10-3-2-4-11(7-10)20-24(21,22)12-5-6-13(16)14(17)8-12/h2-8,20H,1H3
InChIKeyKITJYSNFHDQLFL-UHFFFAOYSA-N
MW384.24 g/mol
LogP4.15
Rot. Bonds4

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

3,4-dichloro-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide (PubChem CID 110418417) has the molecular formula C15H11Cl2N3O3S and a molecular weight of 384.24 g/mol. Its IUPAC name is 3,4-dichloro-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
PubChem CID110418417
Molecular FormulaC15H11Cl2N3O3S
Molecular Weight384.24 g/mol
Exact Mass382.99
IUPAC Name3,4-dichloro-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
SMILESCc1noc(-c2cccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)n1
InChIInChI=1S/C15H11Cl2N3O3S/c1-9-18-15(23-19-9)10-3-2-4-11(7-10)20-24(21,22)12-5-6-13(16)14(17)8-12/h2-8,20H,1H3
InChIKeyKITJYSNFHDQLFL-UHFFFAOYSA-N
XLogP4.15
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.24
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-3-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110643729
2,4,6-trimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110643728
3-chloro-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110643674
5-chloro-2-methoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110418448
2,5-dimethoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110418422
4-ethoxy-2,5-dimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110643747
4-chloro-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]benzenesulfonamide
CID 55864644
3-(3,4-dichlorophenyl)sulfonyl-N-(3-methylphenyl)benzenesulfonamide
CID 1101032
3,4-dichloro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 18569022
N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2,3-dihydro-1-benzoxepine-4-sulfonamide
CID 167896624
3,4-dichloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 7745694
4-methoxy-3-methyl-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110643631

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide (CID 110418417) is 3,4-dichloro-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide is Cc1noc(-c2cccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)n1.
What is the InChIKey of 3,4-dichloro-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide?
The InChIKey is KITJYSNFHDQLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O3S/c1-9-18-15(23-19-9)10-3-2-4-11(7-10)20-24(21,22)12-5-6-13(16)14(17)8-12/h2-8,20H,1H3.
What are the key properties of 3,4-dichloro-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide?
3,4-dichloro-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide has a molecular weight of 384.24 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 110418417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).