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

C16H25FN2O3S — CID 39656758

IUPAC5-fluoro-2-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)NC[C@H]1CN(CC(C)C)CCO1
InChIInChI=1S/C16H25FN2O3S/c1-12(2)10-19-6-7-22-15(11-19)9-18-23(20,21)16-8-14(17)5-4-13(16)3/h4-5,8,12,15,18H,6-7,9-11H2,1-3H3/t15-/m0/s1
InChIKeyCYMGQIDWRSZJQF-HNNXBMFYSA-N
MW344.45 g/mol
LogP1.77
Rot. Bonds6

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

5-fluoro-2-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide (PubChem CID 39656758) has the molecular formula C16H25FN2O3S and a molecular weight of 344.45 g/mol. Its IUPAC name is 5-fluoro-2-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide
PubChem CID39656758
Molecular FormulaC16H25FN2O3S
Molecular Weight344.45 g/mol
Exact Mass344.16
IUPAC Name5-fluoro-2-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)NC[C@H]1CN(CC(C)C)CCO1
InChIInChI=1S/C16H25FN2O3S/c1-12(2)10-19-6-7-22-15(11-19)9-18-23(20,21)16-8-14(17)5-4-13(16)3/h4-5,8,12,15,18H,6-7,9-11H2,1-3H3/t15-/m0/s1
InChIKeyCYMGQIDWRSZJQF-HNNXBMFYSA-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-chloro-5-fluoro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide
CID 136523526
2-fluoro-5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide
CID 42960735
3-amino-5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1,2-oxazole-4-sulfonamide
CID 132971383
4-cyano-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide
CID 46457730
1-methyl-4-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfamoyl]pyrrole-2-carboxamide
CID 55573428
2,6-difluoro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 39485652
2-[[bis(3-methylbutyl)sulfamoylamino]methyl]-4-(2-methylpropyl)morpholine
CID 55989548
N-(4-fluorophenyl)-2-[[N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]acetamide
CID 111368761
1-(2-cyano-4-fluorophenyl)-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea
CID 78838978
4-fluoro-2-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide
CID 110710175
2-(3,4-difluorophenyl)sulfanyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 51216467
5-fluoro-N-[(2-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide
CID 64913291

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 5-fluoro-2-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide (CID 39656758) is 5-fluoro-2-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)NC[C@H]1CN(CC(C)C)CCO1.
What is the InChIKey of 5-fluoro-2-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide?
The InChIKey is CYMGQIDWRSZJQF-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H25FN2O3S/c1-12(2)10-19-6-7-22-15(11-19)9-18-23(20,21)16-8-14(17)5-4-13(16)3/h4-5,8,12,15,18H,6-7,9-11H2,1-3H3/t15-/m0/s1.
What are the key properties of 5-fluoro-2-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide?
5-fluoro-2-methyl-N-[[(2R)-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 5-fluoro-2-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 39656758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).