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

C18H12FN3O4S — CID 17341987

IUPAC4-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2nnc(-c3ccco3)o2)c1)c1ccc(F)cc1
InChIInChI=1S/C18H12FN3O4S/c19-13-6-8-15(9-7-13)27(23,24)22-14-4-1-3-12(11-14)17-20-21-18(26-17)16-5-2-10-25-16/h1-11,22H
InChIKeyKYIDBHYHZVZSNW-UHFFFAOYSA-N
MW385.38 g/mol
LogP3.94
Rot. Bonds5

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

4-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonamide (PubChem CID 17341987) has the molecular formula C18H12FN3O4S and a molecular weight of 385.38 g/mol. Its IUPAC name is 4-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonamide
PubChem CID17341987
Molecular FormulaC18H12FN3O4S
Molecular Weight385.38 g/mol
Exact Mass385.05
IUPAC Name4-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2nnc(-c3ccco3)o2)c1)c1ccc(F)cc1
InChIInChI=1S/C18H12FN3O4S/c19-13-6-8-15(9-7-13)27(23,24)22-14-4-1-3-12(11-14)17-20-21-18(26-17)16-5-2-10-25-16/h1-11,22H
InChIKeyKYIDBHYHZVZSNW-UHFFFAOYSA-N
XLogP3.94
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonamide
CID 169372698
N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
CID 110725699
4-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 8823430
5-[3-[(4-fluorophenyl)sulfonylamino]phenyl]furan-2-carboxylic acid
CID 91688108
2-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-6-methoxybenzamide
CID 142440100
5-bromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]furan-2-carboxamide
CID 9319990
3-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]pyridine-2-carboxamide
CID 142440398
2-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-4-hydroxybenzamide
CID 142440315
2-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]pyridine-3-carboxamide
CID 142440215
N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 146493872
4-fluoro-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
CID 110725588
N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(trifluoromethyl)benzamide
CID 142440079

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonamide (CID 17341987) is 4-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonamide is O=S(=O)(Nc1cccc(-c2nnc(-c3ccco3)o2)c1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonamide?
The InChIKey is KYIDBHYHZVZSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O4S/c19-13-6-8-15(9-7-13)27(23,24)22-14-4-1-3-12(11-14)17-20-21-18(26-17)16-5-2-10-25-16/h1-11,22H.
What are the key properties of 4-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonamide?
4-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonamide has a molecular weight of 385.38 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 17341987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).