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

C13H16FN3O4S — CID 154771851

IUPAC3-fluoro-4-methoxy-N-methyl-N-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2nc(C(C)C)no2)cc1F
InChIInChI=1S/C13H16FN3O4S/c1-8(2)12-15-13(21-16-12)17(3)22(18,19)9-5-6-11(20-4)10(14)7-9/h5-8H,1-4H3
InChIKeyDFCKEVQEQAPTTF-UHFFFAOYSA-N
MW329.35 g/mol
LogP2.17
Rot. Bonds5

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

3-fluoro-4-methoxy-N-methyl-N-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide (PubChem CID 154771851) has the molecular formula C13H16FN3O4S and a molecular weight of 329.35 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-methyl-N-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-methyl-N-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
PubChem CID154771851
Molecular FormulaC13H16FN3O4S
Molecular Weight329.35 g/mol
Exact Mass329.08
IUPAC Name3-fluoro-4-methoxy-N-methyl-N-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2nc(C(C)C)no2)cc1F
InChIInChI=1S/C13H16FN3O4S/c1-8(2)12-15-13(21-16-12)17(3)22(18,19)9-5-6-11(20-4)10(14)7-9/h5-8H,1-4H3
InChIKeyDFCKEVQEQAPTTF-UHFFFAOYSA-N
XLogP2.17
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dimethoxyphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide
CID 100543133
N-(2,5-dimethylphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide
CID 94622646
3-fluoro-N-(2-hydroxyethyl)-4-methoxy-N-propan-2-ylbenzenesulfonamide
CID 43574658
N-(4-ethoxyphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide
CID 99705186
3-fluoro-4-methoxy-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 64510741
2-[(3-fluoro-4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]acetic acid
CID 62032432
N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 39945984
3-fluoro-4-methoxybenzenesulfonic acid;hydrochloride
CID 174836017
N-[(4-chlorophenyl)methyl]-4-ethoxy-N-methyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 50747649
4-bromo-3-fluoro-N-(2-methoxyphenyl)-N-methylbenzenesulfonamide
CID 103697417
5-[1-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 60541049
3-fluoro-4-methoxy-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 99837652

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-methyl-N-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-fluoro-4-methoxy-N-methyl-N-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide (CID 154771851) is 3-fluoro-4-methoxy-N-methyl-N-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-methyl-N-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-methyl-N-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)N(C)c2nc(C(C)C)no2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-methyl-N-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
The InChIKey is DFCKEVQEQAPTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O4S/c1-8(2)12-15-13(21-16-12)17(3)22(18,19)9-5-6-11(20-4)10(14)7-9/h5-8H,1-4H3.
What are the key properties of 3-fluoro-4-methoxy-N-methyl-N-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
3-fluoro-4-methoxy-N-methyl-N-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide has a molecular weight of 329.35 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-methyl-N-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 154771851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).