2-fluoro-5-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide

C16H25FN2O3S — CID 39656763

IUPAC2-fluoro-5-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)NC[C@@H]2CN(CC(C)C)CCO2)c1
InChIInChI=1S/C16H25FN2O3S/c1-12(2)10-19-6-7-22-14(11-19)9-18-23(20,21)16-8-13(3)4-5-15(16)17/h4-5,8,12,14,18H,6-7,9-11H2,1-3H3/t14-/m1/s1
InChIKeyGIOHXWVHQWPFJR-CQSZACIVSA-N
MW344.45 g/mol
LogP1.77
Rot. Bonds6

About 2-fluoro-5-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide

2-fluoro-5-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide (PubChem CID 39656763) has the molecular formula C16H25FN2O3S and a molecular weight of 344.45 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide
PubChem CID39656763
Molecular FormulaC16H25FN2O3S
Molecular Weight344.45 g/mol
Exact Mass344.16
IUPAC Name2-fluoro-5-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)NC[C@@H]2CN(CC(C)C)CCO2)c1
InChIInChI=1S/C16H25FN2O3S/c1-12(2)10-19-6-7-22-14(11-19)9-18-23(20,21)16-8-13(3)4-5-15(16)17/h4-5,8,12,14,18H,6-7,9-11H2,1-3H3/t14-/m1/s1
InChIKeyGIOHXWVHQWPFJR-CQSZACIVSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-Dimethyl-4-{[3-(trifluoromethyl)phenyl]sulfonyl}morpholine
CID 2818577
1-Morpholino-2-(p-toluenesulfonyl)aminoethane
CID 567713
4-(4-Fluoro-3-methylphenyl)sulfonylmorpholine
CID 977826
3,4-dimethyl-N-(2-morpholinoethyl)benzenesulfonamide
CID 646290
3,4-dimethyl-N-[3-(4-morpholinyl)propyl]benzenesulfonamide
CID 2273146
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
2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 2098658
2,5-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;hydrochloride
CID 16242498
HEA derivative, 7d
CID 57340059
N-(2-Morpholin-4-yl-ethyl)-3-trifluoromethyl-benzenesulfonamide
CID 23724447

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-5-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide (CID 39656763) is 2-fluoro-5-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-5-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-5-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide is Cc1ccc(F)c(S(=O)(=O)NC[C@@H]2CN(CC(C)C)CCO2)c1.
What is the InChIKey of 2-fluoro-5-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide?
The InChIKey is GIOHXWVHQWPFJR-CQSZACIVSA-N. The full InChI is InChI=1S/C16H25FN2O3S/c1-12(2)10-19-6-7-22-14(11-19)9-18-23(20,21)16-8-13(3)4-5-15(16)17/h4-5,8,12,14,18H,6-7,9-11H2,1-3H3/t14-/m1/s1.
What are the key properties of 2-fluoro-5-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide?
2-fluoro-5-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide has a molecular weight of 344.45 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 39656763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).