3-fluoro-4-propan-2-yloxy-N-pyridin-2-ylbenzenesulfonamide

C14H15FN2O3S — CID 110758249

IUPAC3-fluoro-4-propan-2-yloxy-N-pyridin-2-ylbenzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)Nc2ccccn2)cc1F
InChIInChI=1S/C14H15FN2O3S/c1-10(2)20-13-7-6-11(9-12(13)15)21(18,19)17-14-5-3-4-8-16-14/h3-10H,1-2H3,(H,16,17)
InChIKeyQLVQVMRQXBORJT-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.81
Rot. Bonds5

About 3-fluoro-4-propan-2-yloxy-N-pyridin-2-ylbenzenesulfonamide

3-fluoro-4-propan-2-yloxy-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 110758249) has the molecular formula C14H15FN2O3S and a molecular weight of 310.35 g/mol. Its IUPAC name is 3-fluoro-4-propan-2-yloxy-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-propan-2-yloxy-N-pyridin-2-ylbenzenesulfonamide
PubChem CID110758249
Molecular FormulaC14H15FN2O3S
Molecular Weight310.35 g/mol
Exact Mass310.08
IUPAC Name3-fluoro-4-propan-2-yloxy-N-pyridin-2-ylbenzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)Nc2ccccn2)cc1F
InChIInChI=1S/C14H15FN2O3S/c1-10(2)20-13-7-6-11(9-12(13)15)21(18,19)17-14-5-3-4-8-16-14/h3-10H,1-2H3,(H,16,17)
InChIKeyQLVQVMRQXBORJT-UHFFFAOYSA-N
XLogP2.81
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-(2-methoxyphenyl)-4-propan-2-yloxybenzenesulfonamide
CID 110758242
3-fluoro-N-(4-methoxyphenyl)-4-propan-2-yloxybenzenesulfonamide
CID 110758244
3-N-(3-methylbutan-2-yl)-1-N-pyridin-2-ylbenzene-1,3-disulfonamide
CID 86817072
4-chloro-3-methoxy-N-pyridin-2-ylbenzenesulfonamide
CID 674105
3,5-difluoro-N-pyridin-2-ylbenzenesulfonamide
CID 142789105
3-fluoro-4-propan-2-yloxybenzenesulfonic acid
CID 82475780
4-ethoxy-3-fluoro-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 122317319
3-fluoro-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 133202669
4-ethyl-3-(methylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide
CID 106082502
3-fluoro-N-(3-methoxypropyl)-4-propan-2-yloxybenzenesulfonamide
CID 110758209
4-chloro-3-pentoxy-N-pyridin-2-ylbenzenesulfonamide
CID 35203130
4-amino-N-pyridin-2-ylbenzenesulfonamide;hydrochloride
CID 68756822

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-propan-2-yloxy-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 3-fluoro-4-propan-2-yloxy-N-pyridin-2-ylbenzenesulfonamide (CID 110758249) is 3-fluoro-4-propan-2-yloxy-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-propan-2-yloxy-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 3-fluoro-4-propan-2-yloxy-N-pyridin-2-ylbenzenesulfonamide is CC(C)Oc1ccc(S(=O)(=O)Nc2ccccn2)cc1F.
What is the InChIKey of 3-fluoro-4-propan-2-yloxy-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is QLVQVMRQXBORJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3S/c1-10(2)20-13-7-6-11(9-12(13)15)21(18,19)17-14-5-3-4-8-16-14/h3-10H,1-2H3,(H,16,17).
What are the key properties of 3-fluoro-4-propan-2-yloxy-N-pyridin-2-ylbenzenesulfonamide?
3-fluoro-4-propan-2-yloxy-N-pyridin-2-ylbenzenesulfonamide has a molecular weight of 310.35 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-propan-2-yloxy-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 110758249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).