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

C18H16FN3O3S — CID 90562308

IUPACN-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1Cc1nc(C2CC2)no1)c1ccccc1F
InChIInChI=1S/C18H16FN3O3S/c19-14-6-2-4-8-16(14)26(23,24)22-15-7-3-1-5-13(15)11-17-20-18(21-25-17)12-9-10-12/h1-8,12,22H,9-11H2
InChIKeyTUBHDGLQKKWQHB-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.48
Rot. Bonds6

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

N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-fluorobenzenesulfonamide (PubChem CID 90562308) has the molecular formula C18H16FN3O3S and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-fluorobenzenesulfonamide
PubChem CID90562308
Molecular FormulaC18H16FN3O3S
Molecular Weight373.41 g/mol
Exact Mass373.09
IUPAC NameN-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1Cc1nc(C2CC2)no1)c1ccccc1F
InChIInChI=1S/C18H16FN3O3S/c19-14-6-2-4-8-16(14)26(23,24)22-15-7-3-1-5-13(15)11-17-20-18(21-25-17)12-9-10-12/h1-8,12,22H,9-11H2
InChIKeyTUBHDGLQKKWQHB-UHFFFAOYSA-N
XLogP3.48
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide
CID 90562273
N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyridine-3-sulfonamide
CID 90562286
N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-(2,4-difluorophenyl)acetamide
CID 90562214
methyl N-[4-[[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]sulfamoyl]phenyl]carbamate
CID 90562370
1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(4-fluorophenyl)urea
CID 90562232
1-(4-chlorophenyl)-3-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 90562228
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-(methylsulfonylmethyl)aniline
CID 47086209
5-cyclopropyl-N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide
CID 71800500
2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 62536508
2,5-dichloro-N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 72717371
2-methoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide
CID 90562184
N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1-benzothiophene-2-carboxamide
CID 90562217

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-fluorobenzenesulfonamide?
The IUPAC name of N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-fluorobenzenesulfonamide (CID 90562308) is N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-fluorobenzenesulfonamide is O=S(=O)(Nc1ccccc1Cc1nc(C2CC2)no1)c1ccccc1F.
What is the InChIKey of N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-fluorobenzenesulfonamide?
The InChIKey is TUBHDGLQKKWQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3S/c19-14-6-2-4-8-16(14)26(23,24)22-15-7-3-1-5-13(15)11-17-20-18(21-25-17)12-9-10-12/h1-8,12,22H,9-11H2.
What are the key properties of N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-fluorobenzenesulfonamide?
N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-fluorobenzenesulfonamide has a molecular weight of 373.41 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 90562308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).