3-fluoro-4-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)benzenesulfonamide

C17H27FN2O3S — CID 46457662

IUPAC3-fluoro-4-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(CC(C)C)N2CCOCC2)cc1F
InChIInChI=1S/C17H27FN2O3S/c1-13(2)10-15(20-6-8-23-9-7-20)12-19-24(21,22)16-5-4-14(3)17(18)11-16/h4-5,11,13,15,19H,6-10,12H2,1-3H3
InChIKeyNWVSNLBBCHKSLW-UHFFFAOYSA-N
MW358.48 g/mol
LogP2.16
Rot. Bonds7

About 3-fluoro-4-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)benzenesulfonamide

3-fluoro-4-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)benzenesulfonamide (PubChem CID 46457662) has the molecular formula C17H27FN2O3S and a molecular weight of 358.48 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)benzenesulfonamide
PubChem CID46457662
Molecular FormulaC17H27FN2O3S
Molecular Weight358.48 g/mol
Exact Mass358.17
IUPAC Name3-fluoro-4-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(CC(C)C)N2CCOCC2)cc1F
InChIInChI=1S/C17H27FN2O3S/c1-13(2)10-15(20-6-8-23-9-7-20)12-19-24(21,22)16-5-4-14(3)17(18)11-16/h4-5,11,13,15,19H,6-10,12H2,1-3H3
InChIKeyNWVSNLBBCHKSLW-UHFFFAOYSA-N
XLogP2.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Morpholino-2-(p-toluenesulfonyl)aminoethane
CID 567713
3,4-dimethyl-N-(2-morpholinoethyl)benzenesulfonamide
CID 646290
4-ethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzenesulfonamide
CID 9397008
4-(2-{[(Morpholin-4-ylcarbonothioyl)thio]amino}ethyl)benzenesulfonamide
CID 10338639
3-Methyl-2-(4-methylbenzenesulfonamido)-N-[3-(morpholin-4-YL)propyl]pentanamide
CID 20970535
N-(3-morpholin-4-ylpropyl)-4-propan-2-ylbenzenesulfonamide
CID 2480420
N-(1,1-Dimethyl-2-piperidin-1-yl-ethyl)-4-methyl-benzenesulfonamide
CID 786536
2,4-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;hydrochloride
CID 16242497
N1-(2-morpholinoethyl)-N2-((1-tosylpyrrolidin-2-yl)methyl)oxalamide
CID 16810217
N-(2-Morpholin-4-yl-ethyl)-3-trifluoromethyl-benzenesulfonamide
CID 23724447
2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 2104277
4-fluoro-3-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 3243079

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)benzenesulfonamide?
The IUPAC name of 3-fluoro-4-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)benzenesulfonamide (CID 46457662) is 3-fluoro-4-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NCC(CC(C)C)N2CCOCC2)cc1F.
What is the InChIKey of 3-fluoro-4-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)benzenesulfonamide?
The InChIKey is NWVSNLBBCHKSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O3S/c1-13(2)10-15(20-6-8-23-9-7-20)12-19-24(21,22)16-5-4-14(3)17(18)11-16/h4-5,11,13,15,19H,6-10,12H2,1-3H3.
What are the key properties of 3-fluoro-4-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)benzenesulfonamide?
3-fluoro-4-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)benzenesulfonamide has a molecular weight of 358.48 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)benzenesulfonamide is sourced from PubChem (CID 46457662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).