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

C16H14ClN3O4S — CID 110319996

IUPAC2-chloro-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
SMILESCOc1ccccc1-c1nnc(CNS(=O)(=O)c2ccccc2Cl)o1
InChIInChI=1S/C16H14ClN3O4S/c1-23-13-8-4-2-6-11(13)16-20-19-15(24-16)10-18-25(21,22)14-9-5-3-7-12(14)17/h2-9,18H,10H2,1H3
InChIKeyNYIPODZBBTVJPB-UHFFFAOYSA-N
MW379.83 g/mol
LogP2.88
Rot. Bonds6

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

2-chloro-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide (PubChem CID 110319996) has the molecular formula C16H14ClN3O4S and a molecular weight of 379.83 g/mol. Its IUPAC name is 2-chloro-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
PubChem CID110319996
Molecular FormulaC16H14ClN3O4S
Molecular Weight379.83 g/mol
Exact Mass379.04
IUPAC Name2-chloro-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
SMILESCOc1ccccc1-c1nnc(CNS(=O)(=O)c2ccccc2Cl)o1
InChIInChI=1S/C16H14ClN3O4S/c1-23-13-8-4-2-6-11(13)16-20-19-15(24-16)10-18-25(21,22)14-9-5-3-7-12(14)17/h2-9,18H,10H2,1H3
InChIKeyNYIPODZBBTVJPB-UHFFFAOYSA-N
XLogP2.88
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.83
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-chloro-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methoxybenzenesulfonamide
CID 110319082
3-chloro-4-fluoro-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652660
N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylaniline
CID 110652632
N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,4,6-trimethylaniline
CID 110652646
2-chloro-N-[(2,4,5-trimethoxyphenyl)methyl]benzenesulfonamide
CID 8819063
2-methoxy-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylaniline
CID 110652671
4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzonitrile
CID 110652725
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,5-dimethoxyaniline
CID 110652197
3-chloro-4-methoxy-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110318627
N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-methylphenyl)methanamine
CID 110652564
3-fluoro-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652698
N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,4-dimethylaniline
CID 110652635

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide (CID 110319996) is 2-chloro-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide is COc1ccccc1-c1nnc(CNS(=O)(=O)c2ccccc2Cl)o1.
What is the InChIKey of 2-chloro-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide?
The InChIKey is NYIPODZBBTVJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O4S/c1-23-13-8-4-2-6-11(13)16-20-19-15(24-16)10-18-25(21,22)14-9-5-3-7-12(14)17/h2-9,18H,10H2,1H3.
What are the key properties of 2-chloro-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide?
2-chloro-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide has a molecular weight of 379.83 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 110319996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).