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

C15H13N3O3S — CID 110725699

IUPACN-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
SMILESCc1nnc(-c2cccc(NS(=O)(=O)c3ccccc3)c2)o1
InChIInChI=1S/C15H13N3O3S/c1-11-16-17-15(21-11)12-6-5-7-13(10-12)18-22(19,20)14-8-3-2-4-9-14/h2-10,18H,1H3
InChIKeyITNIZZDCNPLDCM-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.85
Rot. Bonds4

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

N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide (PubChem CID 110725699) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
PubChem CID110725699
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC NameN-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
SMILESCc1nnc(-c2cccc(NS(=O)(=O)c3ccccc3)c2)o1
InChIInChI=1S/C15H13N3O3S/c1-11-16-17-15(21-11)12-6-5-7-13(10-12)18-22(19,20)14-8-3-2-4-9-14/h2-10,18H,1H3
InChIKeyITNIZZDCNPLDCM-UHFFFAOYSA-N
XLogP2.85
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonamide
CID 169372698
3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]benzenesulfonamide
CID 59680243
3-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]benzoic acid
CID 171985684
5-(5-methyl-1,3,4-oxadiazol-2-yl)-N-phenylfuran-2-sulfonamide
CID 53175453
4-chloro-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
CID 110725589
4-fluoro-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
CID 110725588
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
CID 52669079
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 684183
4-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonamide
CID 17341987
4-chloro-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]benzenesulfonamide
CID 55864644
3-chloro-2,2-dimethyl-N-[3-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide
CID 21060690
3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]benzenesulfonamide
CID 68949995

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide (CID 110725699) is N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide is Cc1nnc(-c2cccc(NS(=O)(=O)c3ccccc3)c2)o1.
What is the InChIKey of N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide?
The InChIKey is ITNIZZDCNPLDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c1-11-16-17-15(21-11)12-6-5-7-13(10-12)18-22(19,20)14-8-3-2-4-9-14/h2-10,18H,1H3.
What are the key properties of N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide?
N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide has a molecular weight of 315.35 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 110725699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).