4-fluoro-3,5-dimethyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)benzenesulfonamide

C11H12FN3O3S — CID 86804371

IUPAC4-fluoro-3,5-dimethyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2nonc2C)cc(C)c1F
InChIInChI=1S/C11H12FN3O3S/c1-6-4-9(5-7(2)10(6)12)19(16,17)15-11-8(3)13-18-14-11/h4-5H,1-3H3,(H,14,15)
InChIKeyBBTLDXMXDPRLNA-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.93
Rot. Bonds3

About 4-fluoro-3,5-dimethyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)benzenesulfonamide

4-fluoro-3,5-dimethyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)benzenesulfonamide (PubChem CID 86804371) has the molecular formula C11H12FN3O3S and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-fluoro-3,5-dimethyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3,5-dimethyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)benzenesulfonamide
PubChem CID86804371
Molecular FormulaC11H12FN3O3S
Molecular Weight285.30 g/mol
Exact Mass285.06
IUPAC Name4-fluoro-3,5-dimethyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2nonc2C)cc(C)c1F
InChIInChI=1S/C11H12FN3O3S/c1-6-4-9(5-7(2)10(6)12)19(16,17)15-11-8(3)13-18-14-11/h4-5H,1-3H3,(H,14,15)
InChIKeyBBTLDXMXDPRLNA-UHFFFAOYSA-N
XLogP1.93
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N,3,5-trimethylbenzenesulfonamide
CID 130161057
3-amino-N-(3-bromo-2-pyridinyl)-4-fluoro-5-methylbenzenesulfonamide
CID 115421695
2-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1-benzothiophene-3-sulfonamide
CID 75478741
2,3-difluoro-4-methyl-N-[4-(piperidine-1-carbonyl)-1,2,5-oxadiazol-3-yl]benzenesulfonamide
CID 154765607
N-(3-aminobutyl)-4-fluoro-3,5-dimethylbenzenesulfonamide
CID 119972485
3,4,5-trifluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
CID 75517545
N-[3-(aminomethyl)pentan-3-yl]-4-fluoro-3,5-dimethylbenzenesulfonamide;hydrochloride
CID 119981261
4-fluoro-3,5-dimethyl-N-[(3R)-oxolan-3-yl]benzenesulfonamide
CID 99819137
3-amino-N-(3,4-dimethylphenyl)-4-fluoro-5-methylbenzenesulfonamide
CID 115421078
3-amino-4-fluoro-N-(5-fluoro-2-pyridinyl)-5-methylbenzenesulfonamide
CID 115421691
4-fluoro-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-5-nitrobenzenesulfonamide
CID 115421813
3-amino-N-(4-bromophenyl)-4-fluoro-5-methylbenzenesulfonamide
CID 115421089

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3,5-dimethyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-3,5-dimethyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)benzenesulfonamide (CID 86804371) is 4-fluoro-3,5-dimethyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3,5-dimethyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-3,5-dimethyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)benzenesulfonamide is Cc1cc(S(=O)(=O)Nc2nonc2C)cc(C)c1F.
What is the InChIKey of 4-fluoro-3,5-dimethyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)benzenesulfonamide?
The InChIKey is BBTLDXMXDPRLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O3S/c1-6-4-9(5-7(2)10(6)12)19(16,17)15-11-8(3)13-18-14-11/h4-5H,1-3H3,(H,14,15).
What are the key properties of 4-fluoro-3,5-dimethyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)benzenesulfonamide?
4-fluoro-3,5-dimethyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)benzenesulfonamide has a molecular weight of 285.30 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3,5-dimethyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 86804371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).