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

C25H19N3O3S — CID 101406239

IUPAC4-methyl-N-[2-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2-c2nnc(-c3cccc4ccccc34)o2)cc1
InChIInChI=1S/C25H19N3O3S/c1-17-13-15-19(16-14-17)32(29,30)28-23-12-5-4-10-22(23)25-27-26-24(31-25)21-11-6-8-18-7-2-3-9-20(18)21/h2-16,28H,1H3
InChIKeyHMWOLXFJYCXTCB-UHFFFAOYSA-N
MW441.51 g/mol
LogP5.67
Rot. Bonds5

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

4-methyl-N-[2-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide (PubChem CID 101406239) has the molecular formula C25H19N3O3S and a molecular weight of 441.51 g/mol. Its IUPAC name is 4-methyl-N-[2-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
PubChem CID101406239
Molecular FormulaC25H19N3O3S
Molecular Weight441.51 g/mol
Exact Mass441.11
IUPAC Name4-methyl-N-[2-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2-c2nnc(-c3cccc4ccccc34)o2)cc1
InChIInChI=1S/C25H19N3O3S/c1-17-13-15-19(16-14-17)32(29,30)28-23-12-5-4-10-22(23)25-27-26-24(31-25)21-11-6-8-18-7-2-3-9-20(18)21/h2-16,28H,1H3
InChIKeyHMWOLXFJYCXTCB-UHFFFAOYSA-N
XLogP5.67
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.51
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
N-[2-(6,7-dihydro-1,3-benzoxazol-2-yl)phenyl]-4-methylbenzenesulfonamide
CID 59081622
4-methyl-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 30332728
4-methyl-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]benzenesulfonamide
CID 30332754
N-(2,4-dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-8-yl)-4-methylbenzenesulfonamide
CID 169371037
4-methyl-N-(2-methyl-1,3-benzoxazol-4-yl)benzenesulfonamide
CID 169371778
4-methyl-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 30332736
3-fluoro-4-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
CID 60534651
1-chloro-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanesulfonamide
CID 63666407
4-methyl-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonamide
CID 169372698
4-methyl-N-(2-methylindazol-7-yl)benzenesulfonamide
CID 169370772
N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 3480387

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[2-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide (CID 101406239) is 4-methyl-N-[2-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[2-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[2-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nnc(-c3cccc4ccccc34)o2)cc1.
What is the InChIKey of 4-methyl-N-[2-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide?
The InChIKey is HMWOLXFJYCXTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O3S/c1-17-13-15-19(16-14-17)32(29,30)28-23-12-5-4-10-22(23)25-27-26-24(31-25)21-11-6-8-18-7-2-3-9-20(18)21/h2-16,28H,1H3.
What are the key properties of 4-methyl-N-[2-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide?
4-methyl-N-[2-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide has a molecular weight of 441.51 g/mol, XLogP of 5.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 101406239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).