5-fluoro-N,2-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide

C13H18FNO3S — CID 110875822

IUPAC5-fluoro-N,2-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)N(C)CC1CCOC1
InChIInChI=1S/C13H18FNO3S/c1-10-3-4-12(14)7-13(10)19(16,17)15(2)8-11-5-6-18-9-11/h3-4,7,11H,5-6,8-9H2,1-2H3
InChIKeyCATQBNVUWJHFIN-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.79
Rot. Bonds4

About 5-fluoro-N,2-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide

5-fluoro-N,2-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide (PubChem CID 110875822) has the molecular formula C13H18FNO3S and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-fluoro-N,2-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-N,2-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
PubChem CID110875822
Molecular FormulaC13H18FNO3S
Molecular Weight287.36 g/mol
Exact Mass287.10
IUPAC Name5-fluoro-N,2-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)N(C)CC1CCOC1
InChIInChI=1S/C13H18FNO3S/c1-10-3-4-12(14)7-13(10)19(16,17)15(2)8-11-5-6-18-9-11/h3-4,7,11H,5-6,8-9H2,1-2H3
InChIKeyCATQBNVUWJHFIN-UHFFFAOYSA-N
XLogP1.79
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,2-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-fluoro-N,2-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide (CID 110875822) is 5-fluoro-N,2-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-fluoro-N,2-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-fluoro-N,2-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)N(C)CC1CCOC1.
What is the InChIKey of 5-fluoro-N,2-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide?
The InChIKey is CATQBNVUWJHFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3S/c1-10-3-4-12(14)7-13(10)19(16,17)15(2)8-11-5-6-18-9-11/h3-4,7,11H,5-6,8-9H2,1-2H3.
What are the key properties of 5-fluoro-N,2-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide?
5-fluoro-N,2-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide has a molecular weight of 287.36 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,2-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 110875822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).