N-cyclopropyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-sulfonamide

C17H16N4O3S — CID 167889655

IUPACN-cyclopropyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-sulfonamide
SMILESO=S(=O)(c1cccnc1)N(Cc1nnc(-c2ccccc2)o1)C1CC1
InChIInChI=1S/C17H16N4O3S/c22-25(23,15-7-4-10-18-11-15)21(14-8-9-14)12-16-19-20-17(24-16)13-5-2-1-3-6-13/h1-7,10-11,14H,8-9,12H2
InChIKeyDNOWLJFBJUBEFC-UHFFFAOYSA-N
MW356.41 g/mol
LogP2.48
Rot. Bonds6

About N-cyclopropyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-sulfonamide

N-cyclopropyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-sulfonamide (PubChem CID 167889655) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is N-cyclopropyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-sulfonamide
PubChem CID167889655
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC NameN-cyclopropyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-sulfonamide
SMILESO=S(=O)(c1cccnc1)N(Cc1nnc(-c2ccccc2)o1)C1CC1
InChIInChI=1S/C17H16N4O3S/c22-25(23,15-7-4-10-18-11-15)21(14-8-9-14)12-16-19-20-17(24-16)13-5-2-1-3-6-13/h1-7,10-11,14H,8-9,12H2
InChIKeyDNOWLJFBJUBEFC-UHFFFAOYSA-N
XLogP2.48
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-fluorobenzenesulfonamide
CID 24556156
N-(2-chloroethyl)-N-cyclobutylpyridine-3-sulfonamide
CID 102873627
N-cyclopropyl-N-(3,3-dimethylbutyl)pyridine-3-sulfonamide
CID 86817906
N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-3-ylethanamine
CID 171907211
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-cyclopropylpyridine-3-sulfonamide
CID 52576996
2-(benzenesulfonylmethyl)-5-phenyl-1,3,4-oxadiazole
CID 42632398
2,3,4,5,6-pentamethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide
CID 24555857
N-cyclopropyl-N-[2-(2,6-dichlorophenoxy)ethyl]pyridine-3-sulfonamide
CID 55603342
N-methyl-N-(4-methylcyclohexyl)pyridine-3-sulfonamide
CID 60548741
N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine
CID 62139067
1-N,4-N-dicyclopropyl-4-N-(pyridin-3-ylmethyl)benzene-1,4-disulfonamide
CID 55564950
N-[[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]methyl]benzenesulfonamide
CID 69469895

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of N-cyclopropyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-sulfonamide (CID 167889655) is N-cyclopropyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-cyclopropyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for N-cyclopropyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-sulfonamide is O=S(=O)(c1cccnc1)N(Cc1nnc(-c2ccccc2)o1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is DNOWLJFBJUBEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c22-25(23,15-7-4-10-18-11-15)21(14-8-9-14)12-16-19-20-17(24-16)13-5-2-1-3-6-13/h1-7,10-11,14H,8-9,12H2.
What are the key properties of N-cyclopropyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-sulfonamide?
N-cyclopropyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-sulfonamide has a molecular weight of 356.41 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 167889655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).