2-fluoro-4-methyl-N-[2-(4-propan-2-ylmorpholin-2-yl)ethyl]benzenesulfonamide

C16H25FN2O3S — CID 56755198

IUPAC2-fluoro-4-methyl-N-[2-(4-propan-2-ylmorpholin-2-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCC2CN(C(C)C)CCO2)c(F)c1
InChIInChI=1S/C16H25FN2O3S/c1-12(2)19-8-9-22-14(11-19)6-7-18-23(20,21)16-5-4-13(3)10-15(16)17/h4-5,10,12,14,18H,6-9,11H2,1-3H3
InChIKeyOTGUTSAWEZZLAZ-UHFFFAOYSA-N
MW344.45 g/mol
LogP1.91
Rot. Bonds6

About 2-fluoro-4-methyl-N-[2-(4-propan-2-ylmorpholin-2-yl)ethyl]benzenesulfonamide

2-fluoro-4-methyl-N-[2-(4-propan-2-ylmorpholin-2-yl)ethyl]benzenesulfonamide (PubChem CID 56755198) has the molecular formula C16H25FN2O3S and a molecular weight of 344.45 g/mol. Its IUPAC name is 2-fluoro-4-methyl-N-[2-(4-propan-2-ylmorpholin-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-4-methyl-N-[2-(4-propan-2-ylmorpholin-2-yl)ethyl]benzenesulfonamide
PubChem CID56755198
Molecular FormulaC16H25FN2O3S
Molecular Weight344.45 g/mol
Exact Mass344.16
IUPAC Name2-fluoro-4-methyl-N-[2-(4-propan-2-ylmorpholin-2-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCC2CN(C(C)C)CCO2)c(F)c1
InChIInChI=1S/C16H25FN2O3S/c1-12(2)19-8-9-22-14(11-19)6-7-18-23(20,21)16-5-4-13(3)10-15(16)17/h4-5,10,12,14,18H,6-9,11H2,1-3H3
InChIKeyOTGUTSAWEZZLAZ-UHFFFAOYSA-N
XLogP1.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 51.91
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-[3-(4-morpholinyl)propyl]benzenesulfonamide
CID 2273146
4-ethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzenesulfonamide
CID 9397008
4-(2-{[(Morpholin-4-ylcarbonothioyl)thio]amino}ethyl)benzenesulfonamide
CID 10338639
N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-4-methylbenzenesulfonamide
CID 17154096
N-[(2R)-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 44526974
N-(3-morpholin-4-ylpropyl)-4-propan-2-ylbenzenesulfonamide
CID 2480420
2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 2104277
4-fluoro-3-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 3243079
4-(4-Methyl-benzenesulfonyl)-2-(1-methyl-1,2,5,6-tetrahydro-pyridin-3-yl)-morpholine
CID 44576423
4-methyl-N-[3-(morpholin-4-yl)propyl]benzenesulfonamide
CID 262188
8-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 118744794

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-N-[2-(4-propan-2-ylmorpholin-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-4-methyl-N-[2-(4-propan-2-ylmorpholin-2-yl)ethyl]benzenesulfonamide (CID 56755198) is 2-fluoro-4-methyl-N-[2-(4-propan-2-ylmorpholin-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-4-methyl-N-[2-(4-propan-2-ylmorpholin-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-4-methyl-N-[2-(4-propan-2-ylmorpholin-2-yl)ethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCC2CN(C(C)C)CCO2)c(F)c1.
What is the InChIKey of 2-fluoro-4-methyl-N-[2-(4-propan-2-ylmorpholin-2-yl)ethyl]benzenesulfonamide?
The InChIKey is OTGUTSAWEZZLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O3S/c1-12(2)19-8-9-22-14(11-19)6-7-18-23(20,21)16-5-4-13(3)10-15(16)17/h4-5,10,12,14,18H,6-9,11H2,1-3H3.
What are the key properties of 2-fluoro-4-methyl-N-[2-(4-propan-2-ylmorpholin-2-yl)ethyl]benzenesulfonamide?
2-fluoro-4-methyl-N-[2-(4-propan-2-ylmorpholin-2-yl)ethyl]benzenesulfonamide has a molecular weight of 344.45 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-N-[2-(4-propan-2-ylmorpholin-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 56755198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).