2,4-dichloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide

C9H7Cl2N3O3S — CID 90644494

IUPAC2,4-dichloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
SMILESCc1nnc(-c2cc(S(N)(=O)=O)c(Cl)cc2Cl)o1
InChIInChI=1S/C9H7Cl2N3O3S/c1-4-13-14-9(17-4)5-2-8(18(12,15)16)7(11)3-6(5)10/h2-3H,1H3,(H2,12,15,16)
InChIKeyBMNZWAGOSFRNCQ-UHFFFAOYSA-N
MW308.15 g/mol
LogP2.00
Rot. Bonds2

About 2,4-dichloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide

2,4-dichloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide (PubChem CID 90644494) has the molecular formula C9H7Cl2N3O3S and a molecular weight of 308.15 g/mol. Its IUPAC name is 2,4-dichloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
PubChem CID90644494
Molecular FormulaC9H7Cl2N3O3S
Molecular Weight308.15 g/mol
Exact Mass306.96
IUPAC Name2,4-dichloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
SMILESCc1nnc(-c2cc(S(N)(=O)=O)c(Cl)cc2Cl)o1
InChIInChI=1S/C9H7Cl2N3O3S/c1-4-13-14-9(17-4)5-2-8(18(12,15)16)7(11)3-6(5)10/h2-3H,1H3,(H2,12,15,16)
InChIKeyBMNZWAGOSFRNCQ-UHFFFAOYSA-N
XLogP2.00
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.15
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 2,4-dichloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide (CID 90644494) is 2,4-dichloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide is Cc1nnc(-c2cc(S(N)(=O)=O)c(Cl)cc2Cl)o1.
What is the InChIKey of 2,4-dichloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The InChIKey is BMNZWAGOSFRNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N3O3S/c1-4-13-14-9(17-4)5-2-8(18(12,15)16)7(11)3-6(5)10/h2-3H,1H3,(H2,12,15,16).
What are the key properties of 2,4-dichloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
2,4-dichloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide has a molecular weight of 308.15 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 90644494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).