N-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluorobenzamide

C17H14FN3O4S — CID 9189406

IUPACN-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluorobenzamide
SMILESO=C(NCc1nnc(S(=O)(=O)Cc2ccccc2)o1)c1cccc(F)c1
InChIInChI=1S/C17H14FN3O4S/c18-14-8-4-7-13(9-14)16(22)19-10-15-20-21-17(25-15)26(23,24)11-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,19,22)
InChIKeyMJTGITSGXRFARD-UHFFFAOYSA-N
MW375.38 g/mol
LogP2.11
Rot. Bonds6

About N-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluorobenzamide

N-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluorobenzamide (PubChem CID 9189406) has the molecular formula C17H14FN3O4S and a molecular weight of 375.38 g/mol. Its IUPAC name is N-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluorobenzamide
PubChem CID9189406
Molecular FormulaC17H14FN3O4S
Molecular Weight375.38 g/mol
Exact Mass375.07
IUPAC NameN-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluorobenzamide
SMILESO=C(NCc1nnc(S(=O)(=O)Cc2ccccc2)o1)c1cccc(F)c1
InChIInChI=1S/C17H14FN3O4S/c18-14-8-4-7-13(9-14)16(22)19-10-15-20-21-17(25-15)26(23,24)11-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,19,22)
InChIKeyMJTGITSGXRFARD-UHFFFAOYSA-N
XLogP2.11
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylbenzamide
CID 9189372
N-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide
CID 9189394
N-[[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]pyridine-3-carboxamide
CID 9189646
N-[[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]pyridine-4-carboxamide
CID 9189649
N-[[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]pyridine-2-carboxamide
CID 9189643
1-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-propylurea
CID 9189459
N-[2-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 9190102
4-fluoro-N-[2-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 9190243
N-[[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-3-methylbutanamide
CID 9189591
N-[3-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]-4-methylbenzamide
CID 9190489
N-[[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-4-methoxybenzamide
CID 9189520
3-[[(3-fluorobenzoyl)amino]methyl]benzoic acid
CID 60893305

Frequently Asked Questions

What is the IUPAC name of N-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluorobenzamide?
The IUPAC name of N-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluorobenzamide (CID 9189406) is N-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluorobenzamide.
What is the SMILES notation for N-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluorobenzamide?
The canonical SMILES for N-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluorobenzamide is O=C(NCc1nnc(S(=O)(=O)Cc2ccccc2)o1)c1cccc(F)c1.
What is the InChIKey of N-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluorobenzamide?
The InChIKey is MJTGITSGXRFARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O4S/c18-14-8-4-7-13(9-14)16(22)19-10-15-20-21-17(25-15)26(23,24)11-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,19,22).
What are the key properties of N-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluorobenzamide?
N-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluorobenzamide has a molecular weight of 375.38 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluorobenzamide is sourced from PubChem (CID 9189406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).