5-fluoro-2-methyl-N-(morpholin-3-ylmethyl)benzenesulfonamide

C12H17FN2O3S — CID 103549010

IUPAC5-fluoro-2-methyl-N-(morpholin-3-ylmethyl)benzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)NCC1COCCN1
InChIInChI=1S/C12H17FN2O3S/c1-9-2-3-10(13)6-12(9)19(16,17)15-7-11-8-18-5-4-14-11/h2-3,6,11,14-15H,4-5,7-8H2,1H3
InChIKeyRSKISQFREIJQHC-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.40
Rot. Bonds4

About 5-fluoro-2-methyl-N-(morpholin-3-ylmethyl)benzenesulfonamide

5-fluoro-2-methyl-N-(morpholin-3-ylmethyl)benzenesulfonamide (PubChem CID 103549010) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is 5-fluoro-2-methyl-N-(morpholin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-methyl-N-(morpholin-3-ylmethyl)benzenesulfonamide
PubChem CID103549010
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC Name5-fluoro-2-methyl-N-(morpholin-3-ylmethyl)benzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)NCC1COCCN1
InChIInChI=1S/C12H17FN2O3S/c1-9-2-3-10(13)6-12(9)19(16,17)15-7-11-8-18-5-4-14-11/h2-3,6,11,14-15H,4-5,7-8H2,1H3
InChIKeyRSKISQFREIJQHC-UHFFFAOYSA-N
XLogP0.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Morpholino-2-(p-toluenesulfonyl)aminoethane
CID 567713
4-(4-Fluoro-3-methylphenyl)sulfonylmorpholine
CID 977826
4-{[2-(Trifluoromethyl)phenyl]sulfonyl}morpholine
CID 697921
N1-(2-(cyclohex-1-en-1-yl)ethyl)-N2-((3-((4-fluoro-2-methylphenyl)sulfonyl)-1,3-oxazinan-2-yl)methyl)oxalamide
CID 12005843
2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 2098658
2,4-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;hydrochloride
CID 16242497
2,5-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;hydrochloride
CID 16242498
N-(2-Morpholin-4-yl-ethyl)-3-trifluoromethyl-benzenesulfonamide
CID 23724447
4-fluoro-3-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 3243079
N1-((3-((4-fluoro-2-methylphenyl)sulfonyl)-1,3-oxazinan-2-yl)methyl)-N2-methyloxalamide
CID 18562542
4-methyl-N-[3-(morpholin-4-yl)propyl]benzenesulfonamide
CID 262188
N-[2-(morpholin-4-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 697907

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-N-(morpholin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-fluoro-2-methyl-N-(morpholin-3-ylmethyl)benzenesulfonamide (CID 103549010) is 5-fluoro-2-methyl-N-(morpholin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-methyl-N-(morpholin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-methyl-N-(morpholin-3-ylmethyl)benzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)NCC1COCCN1.
What is the InChIKey of 5-fluoro-2-methyl-N-(morpholin-3-ylmethyl)benzenesulfonamide?
The InChIKey is RSKISQFREIJQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c1-9-2-3-10(13)6-12(9)19(16,17)15-7-11-8-18-5-4-14-11/h2-3,6,11,14-15H,4-5,7-8H2,1H3.
What are the key properties of 5-fluoro-2-methyl-N-(morpholin-3-ylmethyl)benzenesulfonamide?
5-fluoro-2-methyl-N-(morpholin-3-ylmethyl)benzenesulfonamide has a molecular weight of 288.34 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-N-(morpholin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 103549010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).