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

C19H20ClN3O3S — CID 53098037

IUPAC2-chloro-N,N-diethyl-5-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(-c2nnc(-c3cccc(C)c3)o2)ccc1Cl
InChIInChI=1S/C19H20ClN3O3S/c1-4-23(5-2)27(24,25)17-12-15(9-10-16(17)20)19-22-21-18(26-19)14-8-6-7-13(3)11-14/h6-12H,4-5H2,1-3H3
InChIKeyDJOLSSBYZLMLFU-UHFFFAOYSA-N
MW405.91 g/mol
LogP4.40
Rot. Bonds6

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

2-chloro-N,N-diethyl-5-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide (PubChem CID 53098037) has the molecular formula C19H20ClN3O3S and a molecular weight of 405.91 g/mol. Its IUPAC name is 2-chloro-N,N-diethyl-5-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N,N-diethyl-5-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
PubChem CID53098037
Molecular FormulaC19H20ClN3O3S
Molecular Weight405.91 g/mol
Exact Mass405.09
IUPAC Name2-chloro-N,N-diethyl-5-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(-c2nnc(-c3cccc(C)c3)o2)ccc1Cl
InChIInChI=1S/C19H20ClN3O3S/c1-4-23(5-2)27(24,25)17-12-15(9-10-16(17)20)19-22-21-18(26-19)14-8-6-7-13(3)11-14/h6-12H,4-5H2,1-3H3
InChIKeyDJOLSSBYZLMLFU-UHFFFAOYSA-N
XLogP4.40
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.91
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N,N-dimethyl-5-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
CID 53098036
2-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 53098039
N,N-diethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 13409705
N-ethyl-N-methyl-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 134063386
2-(4-tert-butylphenyl)-5-[4-(3-methylphenyl)phenyl]-1,3,4-oxadiazole
CID 58003971
2-chloro-N,N-diethyl-5-fluorobenzenesulfonamide
CID 115610807
2-(3-methylphenyl)-5-[4-[tris[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-1,3,4-oxadiazole
CID 153436703
2-chloro-N,N-diethyl-5-methylsulfonylbenzenesulfonamide
CID 35290992
2-(4-butoxyphenyl)-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 56697618
2-(3-methylphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole
CID 872987
ethane;2-methyl-5-[3-(3-methylphenyl)phenyl]-1,3,4-oxadiazole
CID 166546394
2-chloro-N-ethyl-4-methyl-N-[(3-pyridin-4-ylphenyl)methyl]benzenesulfonamide
CID 166215305

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-diethyl-5-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
The IUPAC name of 2-chloro-N,N-diethyl-5-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide (CID 53098037) is 2-chloro-N,N-diethyl-5-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N,N-diethyl-5-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N,N-diethyl-5-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide is CCN(CC)S(=O)(=O)c1cc(-c2nnc(-c3cccc(C)c3)o2)ccc1Cl.
What is the InChIKey of 2-chloro-N,N-diethyl-5-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
The InChIKey is DJOLSSBYZLMLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3S/c1-4-23(5-2)27(24,25)17-12-15(9-10-16(17)20)19-22-21-18(26-19)14-8-6-7-13(3)11-14/h6-12H,4-5H2,1-3H3.
What are the key properties of 2-chloro-N,N-diethyl-5-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
2-chloro-N,N-diethyl-5-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide has a molecular weight of 405.91 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-diethyl-5-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 53098037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).