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

C15H13ClN4O4S — CID 110318627

IUPAC3-chloro-4-methoxy-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2nnc(-c3ccccn3)o2)cc1Cl
InChIInChI=1S/C15H13ClN4O4S/c1-23-13-6-5-10(8-11(13)16)25(21,22)18-9-14-19-20-15(24-14)12-4-2-3-7-17-12/h2-8,18H,9H2,1H3
InChIKeyNGAUHNFUDGIOKW-UHFFFAOYSA-N
MW380.81 g/mol
LogP2.27
Rot. Bonds6

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

3-chloro-4-methoxy-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide (PubChem CID 110318627) has the molecular formula C15H13ClN4O4S and a molecular weight of 380.81 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
PubChem CID110318627
Molecular FormulaC15H13ClN4O4S
Molecular Weight380.81 g/mol
Exact Mass380.03
IUPAC Name3-chloro-4-methoxy-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2nnc(-c3ccccn3)o2)cc1Cl
InChIInChI=1S/C15H13ClN4O4S/c1-23-13-6-5-10(8-11(13)16)25(21,22)18-9-14-19-20-15(24-14)12-4-2-3-7-17-12/h2-8,18H,9H2,1H3
InChIKeyNGAUHNFUDGIOKW-UHFFFAOYSA-N
XLogP2.27
TPSA107.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.81
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,5-dimethoxy-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110318618
4-methoxy-3-methyl-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320600
3-chloro-4-methoxy-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110368371
3,4-dimethoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110318763
3-chloro-4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756685
2-chloro-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 110319996
3-chloro-4-methoxy-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 91630400
5-chloro-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methoxybenzenesulfonamide
CID 110319082
3-chloro-N-[(4-chlorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 37476599
3,4-dichloro-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 26948553
3-chloro-4-methoxy-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 110318264
3-chloro-4-methoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 66485558

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-methoxy-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide (CID 110318627) is 3-chloro-4-methoxy-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-methoxy-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCc2nnc(-c3ccccn3)o2)cc1Cl.
What is the InChIKey of 3-chloro-4-methoxy-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is NGAUHNFUDGIOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O4S/c1-23-13-6-5-10(8-11(13)16)25(21,22)18-9-14-19-20-15(24-14)12-4-2-3-7-17-12/h2-8,18H,9H2,1H3.
What are the key properties of 3-chloro-4-methoxy-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide?
3-chloro-4-methoxy-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 380.81 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110318627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).