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

C20H15N3O3S — CID 4898260

IUPACN-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1-c1nc(-c2ccccc2)no1)c1ccccc1
InChIInChI=1S/C20H15N3O3S/c24-27(25,16-11-5-2-6-12-16)23-18-14-8-7-13-17(18)20-21-19(22-26-20)15-9-3-1-4-10-15/h1-14,23H
InChIKeyBWPXVWDVYRZDMV-UHFFFAOYSA-N
MW377.43 g/mol
LogP4.20
Rot. Bonds5

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

N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide (PubChem CID 4898260) has the molecular formula C20H15N3O3S and a molecular weight of 377.43 g/mol. Its IUPAC name is N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
PubChem CID4898260
Molecular FormulaC20H15N3O3S
Molecular Weight377.43 g/mol
Exact Mass377.08
IUPAC NameN-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1-c1nc(-c2ccccc2)no1)c1ccccc1
InChIInChI=1S/C20H15N3O3S/c24-27(25,16-11-5-2-6-12-16)23-18-14-8-7-13-17(18)20-21-19(22-26-20)15-9-3-1-4-10-15/h1-14,23H
InChIKeyBWPXVWDVYRZDMV-UHFFFAOYSA-N
XLogP4.20
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 30332686
4-methyl-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 30332728
4-methyl-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 30332736
N-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzenesulfonamide
CID 4897163
N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]benzenesulfonamide
CID 50823114
4-methyl-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]benzenesulfonamide
CID 30332754
5-bromo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide
CID 16763198
2-iodo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30329655
N-(3,4-difluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 50842970
4-chloro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]butanamide
CID 30333479
4-bromo-N-(2-phenylphenyl)benzenesulfonamide
CID 19684169
N-[4-[[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide
CID 50839201

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide?
The IUPAC name of N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide (CID 4898260) is N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccccc1-c1nc(-c2ccccc2)no1)c1ccccc1.
What is the InChIKey of N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide?
The InChIKey is BWPXVWDVYRZDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3S/c24-27(25,16-11-5-2-6-12-16)23-18-14-8-7-13-17(18)20-21-19(22-26-20)15-9-3-1-4-10-15/h1-14,23H.
What are the key properties of N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide?
N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide has a molecular weight of 377.43 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 4898260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).