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

C20H16N4O3S — CID 69469895

IUPACN-[[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(-c2nnc(-c3cccnc3)o2)cc1)c1ccccc1
InChIInChI=1S/C20H16N4O3S/c25-28(26,18-6-2-1-3-7-18)22-13-15-8-10-16(11-9-15)19-23-24-20(27-19)17-5-4-12-21-14-17/h1-12,14,22H,13H2
InChIKeyNTOOBRSHFFXIHT-UHFFFAOYSA-N
MW392.44 g/mol
LogP3.28
Rot. Bonds6

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

N-[[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]methyl]benzenesulfonamide (PubChem CID 69469895) has the molecular formula C20H16N4O3S and a molecular weight of 392.44 g/mol. Its IUPAC name is N-[[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]methyl]benzenesulfonamide
PubChem CID69469895
Molecular FormulaC20H16N4O3S
Molecular Weight392.44 g/mol
Exact Mass392.09
IUPAC NameN-[[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(-c2nnc(-c3cccnc3)o2)cc1)c1ccccc1
InChIInChI=1S/C20H16N4O3S/c25-28(26,18-6-2-1-3-7-18)22-13-15-8-10-16(11-9-15)19-23-24-20(27-19)17-5-4-12-21-14-17/h1-12,14,22H,13H2
InChIKeyNTOOBRSHFFXIHT-UHFFFAOYSA-N
XLogP3.28
TPSA97.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(6-pyridin-3-yl-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 91625946
4-ethoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110318797
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 110319836
3,4-dimethoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110318763
4-[2-(4-phenylphenyl)ethynyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 144614843
N-[[5-(benzenesulfonamidomethyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 71662153
N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-3-sulfonamide
CID 3823851
4-ethyl-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110318895
N-benzyl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 758301
1-(2-chlorophenyl)-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]methanesulfonamide
CID 110318782
4-(2-chloroethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 28719352
4-(2-bromoethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 23112086

Frequently Asked Questions

What is the IUPAC name of N-[[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of N-[[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]methyl]benzenesulfonamide (CID 69469895) is N-[[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]methyl]benzenesulfonamide is O=S(=O)(NCc1ccc(-c2nnc(-c3cccnc3)o2)cc1)c1ccccc1.
What is the InChIKey of N-[[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]methyl]benzenesulfonamide?
The InChIKey is NTOOBRSHFFXIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3S/c25-28(26,18-6-2-1-3-7-18)22-13-15-8-10-16(11-9-15)19-23-24-20(27-19)17-5-4-12-21-14-17/h1-12,14,22H,13H2.
What are the key properties of N-[[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]methyl]benzenesulfonamide?
N-[[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]methyl]benzenesulfonamide has a molecular weight of 392.44 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 69469895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).