5-fluoro-2-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide

C12H16FNO4S — CID 3154505

IUPAC5-fluoro-2-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NCC1CCCO1
InChIInChI=1S/C12H16FNO4S/c1-17-11-5-4-9(13)7-12(11)19(15,16)14-8-10-3-2-6-18-10/h4-5,7,10,14H,2-3,6,8H2,1H3
InChIKeyFVCUJBXZNXIJGM-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.29
Rot. Bonds5

About 5-fluoro-2-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide

5-fluoro-2-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide (PubChem CID 3154505) has the molecular formula C12H16FNO4S and a molecular weight of 289.33 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
PubChem CID3154505
Molecular FormulaC12H16FNO4S
Molecular Weight289.33 g/mol
Exact Mass289.08
IUPAC Name5-fluoro-2-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NCC1CCCO1
InChIInChI=1S/C12H16FNO4S/c1-17-11-5-4-9(13)7-12(11)19(15,16)14-8-10-3-2-6-18-10/h4-5,7,10,14H,2-3,6,8H2,1H3
InChIKeyFVCUJBXZNXIJGM-UHFFFAOYSA-N
XLogP1.29
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 2931143
5-isopropyl-2-methoxy-N-(tetrahydro-2-furanylmethyl)benzenesulfonamide
CID 4565916
5-Fluoro-2-methoxy-N-(2-morpholin-4-yl-ethyl)-benzenesulfonamide
CID 6487446
2,5-Dimethoxy-N-(tetrahydro-furan-2-ylmethyl)-benzenesulfonamide
CID 2868443
(2-Methoxy-isopropyl)[(4-methoxyphenyl)sulfonyl]amine
CID 2904487
2H-5,1,2-Benzoxathiazepine, 3,4-dihydro-, 1,1-dioxide
CID 69470608
(3S)-9-fluoro-3-(2-methylpropyl)-3,4-dihydro-2H-5,1lambda6,2-benzoxathiazepine 1,1-dioxide
CID 46902221
N-cyclohexyl-3-ethoxy-4-fluorobenzenesulfonamide
CID 850125
N-cyclopentyl-5-fluoro-2-methoxybenzenesulfonamide
CID 935192
N-cyclohexyl-4-fluoro-3-methoxybenzenesulfonamide
CID 935316
N-cyclopentyl-4-fluoro-3-methoxybenzenesulfonamide
CID 935461
[(3-Ethoxy-4-fluorophenyl)sulfonyl](oxolan-2-ylmethyl)amine
CID 2969472

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-fluoro-2-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide (CID 3154505) is 5-fluoro-2-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide is COc1ccc(F)cc1S(=O)(=O)NCC1CCCO1.
What is the InChIKey of 5-fluoro-2-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The InChIKey is FVCUJBXZNXIJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO4S/c1-17-11-5-4-9(13)7-12(11)19(15,16)14-8-10-3-2-6-18-10/h4-5,7,10,14H,2-3,6,8H2,1H3.
What are the key properties of 5-fluoro-2-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide?
5-fluoro-2-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide has a molecular weight of 289.33 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 3154505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).