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

C14H9Cl2N3O3S — CID 72547023

IUPAC3,5-dichloro-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2nnco2)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H9Cl2N3O3S/c15-10-5-11(16)7-13(6-10)23(20,21)19-12-3-1-9(2-4-12)14-18-17-8-22-14/h1-8,19H
InChIKeyHWRMSAWZMPETAY-UHFFFAOYSA-N
MW370.22 g/mol
LogP3.84
Rot. Bonds4

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

3,5-dichloro-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide (PubChem CID 72547023) has the molecular formula C14H9Cl2N3O3S and a molecular weight of 370.22 g/mol. Its IUPAC name is 3,5-dichloro-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
PubChem CID72547023
Molecular FormulaC14H9Cl2N3O3S
Molecular Weight370.22 g/mol
Exact Mass368.97
IUPAC Name3,5-dichloro-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2nnco2)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H9Cl2N3O3S/c15-10-5-11(16)7-13(6-10)23(20,21)19-12-3-1-9(2-4-12)14-18-17-8-22-14/h1-8,19H
InChIKeyHWRMSAWZMPETAY-UHFFFAOYSA-N
XLogP3.84
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.22
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide (CID 72547023) is 3,5-dichloro-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(-c2nnco2)cc1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide?
The InChIKey is HWRMSAWZMPETAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O3S/c15-10-5-11(16)7-13(6-10)23(20,21)19-12-3-1-9(2-4-12)14-18-17-8-22-14/h1-8,19H.
What are the key properties of 3,5-dichloro-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide?
3,5-dichloro-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide has a molecular weight of 370.22 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 72547023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).