2,3-difluoro-4-methyl-N-[4-(piperidine-1-carbonyl)-1,2,5-oxadiazol-3-yl]benzenesulfonamide

C15H16F2N4O4S — CID 154765607

IUPAC2,3-difluoro-4-methyl-N-[4-(piperidine-1-carbonyl)-1,2,5-oxadiazol-3-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nonc2C(=O)N2CCCCC2)c(F)c1F
InChIInChI=1S/C15H16F2N4O4S/c1-9-5-6-10(12(17)11(9)16)26(23,24)20-14-13(18-25-19-14)15(22)21-7-3-2-4-8-21/h5-6H,2-4,7-8H2,1H3,(H,19,20)
InChIKeySZWNGVGJLZTHIJ-UHFFFAOYSA-N
MW386.38 g/mol
LogP2.08
Rot. Bonds4

About 2,3-difluoro-4-methyl-N-[4-(piperidine-1-carbonyl)-1,2,5-oxadiazol-3-yl]benzenesulfonamide

2,3-difluoro-4-methyl-N-[4-(piperidine-1-carbonyl)-1,2,5-oxadiazol-3-yl]benzenesulfonamide (PubChem CID 154765607) has the molecular formula C15H16F2N4O4S and a molecular weight of 386.38 g/mol. Its IUPAC name is 2,3-difluoro-4-methyl-N-[4-(piperidine-1-carbonyl)-1,2,5-oxadiazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,3-difluoro-4-methyl-N-[4-(piperidine-1-carbonyl)-1,2,5-oxadiazol-3-yl]benzenesulfonamide
PubChem CID154765607
Molecular FormulaC15H16F2N4O4S
Molecular Weight386.38 g/mol
Exact Mass386.09
IUPAC Name2,3-difluoro-4-methyl-N-[4-(piperidine-1-carbonyl)-1,2,5-oxadiazol-3-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nonc2C(=O)N2CCCCC2)c(F)c1F
InChIInChI=1S/C15H16F2N4O4S/c1-9-5-6-10(12(17)11(9)16)26(23,24)20-14-13(18-25-19-14)15(22)21-7-3-2-4-8-21/h5-6H,2-4,7-8H2,1H3,(H,19,20)
InChIKeySZWNGVGJLZTHIJ-UHFFFAOYSA-N
XLogP2.08
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,3,4-trifluoro-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 43069416
5-[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]-N-(3-fluorophenyl)-2-methylbenzenesulfonamide
CID 53205151
N-(2,6-dimethylphenyl)-2-methyl-5-[5-(piperidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 53204995
5-[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]-2-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 53205187
N-[5-(azepane-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-2,4-dimethylbenzenesulfonamide
CID 16945066
N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-4-fluoro-2-methylbenzenesulfonamide
CID 60534480
N-[4-(azepane-1-carbonyl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 7908023
2-methyl-N-phenyl-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 3330088
N-(3-chloro-4-methylphenyl)-2-methyl-5-[5-(piperidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 53205011
N-(2,5-dimethylphenyl)-2-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 4530287
N-(3-ethoxy-2-pyridinyl)-2,3-difluoro-4-methylbenzenesulfonamide
CID 167880342
N-(2-methoxyphenyl)-2-methyl-5-[5-(piperidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 53205053

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-methyl-N-[4-(piperidine-1-carbonyl)-1,2,5-oxadiazol-3-yl]benzenesulfonamide?
The IUPAC name of 2,3-difluoro-4-methyl-N-[4-(piperidine-1-carbonyl)-1,2,5-oxadiazol-3-yl]benzenesulfonamide (CID 154765607) is 2,3-difluoro-4-methyl-N-[4-(piperidine-1-carbonyl)-1,2,5-oxadiazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 2,3-difluoro-4-methyl-N-[4-(piperidine-1-carbonyl)-1,2,5-oxadiazol-3-yl]benzenesulfonamide?
The canonical SMILES for 2,3-difluoro-4-methyl-N-[4-(piperidine-1-carbonyl)-1,2,5-oxadiazol-3-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2nonc2C(=O)N2CCCCC2)c(F)c1F.
What is the InChIKey of 2,3-difluoro-4-methyl-N-[4-(piperidine-1-carbonyl)-1,2,5-oxadiazol-3-yl]benzenesulfonamide?
The InChIKey is SZWNGVGJLZTHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O4S/c1-9-5-6-10(12(17)11(9)16)26(23,24)20-14-13(18-25-19-14)15(22)21-7-3-2-4-8-21/h5-6H,2-4,7-8H2,1H3,(H,19,20).
What are the key properties of 2,3-difluoro-4-methyl-N-[4-(piperidine-1-carbonyl)-1,2,5-oxadiazol-3-yl]benzenesulfonamide?
2,3-difluoro-4-methyl-N-[4-(piperidine-1-carbonyl)-1,2,5-oxadiazol-3-yl]benzenesulfonamide has a molecular weight of 386.38 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-methyl-N-[4-(piperidine-1-carbonyl)-1,2,5-oxadiazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 154765607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).