4-fluoro-N-[3-[(3S,4S)-3-methoxy-4-methylpiperidin-1-yl]-3-oxopropyl]benzenesulfonamide

C16H23FN2O4S — CID 99789398

IUPAC4-fluoro-N-[3-[(3S,4S)-3-methoxy-4-methylpiperidin-1-yl]-3-oxopropyl]benzenesulfonamide
SMILESCO[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccc(F)cc2)CC[C@@H]1C
InChIInChI=1S/C16H23FN2O4S/c1-12-8-10-19(11-15(12)23-2)16(20)7-9-18-24(21,22)14-5-3-13(17)4-6-14/h3-6,12,15,18H,7-11H2,1-2H3/t12-,15+/m0/s1
InChIKeyFFEIKBJUBCLCAT-SWLSCSKDSA-N
MW358.44 g/mol
LogP1.38
Rot. Bonds6

About 4-fluoro-N-[3-[(3S,4S)-3-methoxy-4-methylpiperidin-1-yl]-3-oxopropyl]benzenesulfonamide

4-fluoro-N-[3-[(3S,4S)-3-methoxy-4-methylpiperidin-1-yl]-3-oxopropyl]benzenesulfonamide (PubChem CID 99789398) has the molecular formula C16H23FN2O4S and a molecular weight of 358.44 g/mol. Its IUPAC name is 4-fluoro-N-[3-[(3S,4S)-3-methoxy-4-methylpiperidin-1-yl]-3-oxopropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[3-[(3S,4S)-3-methoxy-4-methylpiperidin-1-yl]-3-oxopropyl]benzenesulfonamide
PubChem CID99789398
Molecular FormulaC16H23FN2O4S
Molecular Weight358.44 g/mol
Exact Mass358.14
IUPAC Name4-fluoro-N-[3-[(3S,4S)-3-methoxy-4-methylpiperidin-1-yl]-3-oxopropyl]benzenesulfonamide
SMILESCO[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccc(F)cc2)CC[C@@H]1C
InChIInChI=1S/C16H23FN2O4S/c1-12-8-10-19(11-15(12)23-2)16(20)7-9-18-24(21,22)14-5-3-13(17)4-6-14/h3-6,12,15,18H,7-11H2,1-2H3/t12-,15+/m0/s1
InChIKeyFFEIKBJUBCLCAT-SWLSCSKDSA-N
XLogP1.38
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-N-[3-[(3S,4S)-3-methoxy-4-methylpiperidin-1-yl]-3-oxopropyl]benzenesulfonamide with MolForge

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Related Compounds

4-fluoro-N-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide;hydrochloride
CID 119576233
N-[3-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]-4-fluorobenzenesulfonamide
CID 55849652
2-[1-[3-[(4-fluorophenyl)sulfonylamino]propanoyl]piperidin-4-yl]acetic acid
CID 119178388
4-acetyl-N-[3-(4-methoxypiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 55480449
N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 2537450
N-[3-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-oxopropyl]-4-methylbenzenesulfonamide
CID 9295871
3-chloro-1-(3-methoxy-4-methylpiperidin-1-yl)propan-1-one
CID 102956855
(3R)-1-[3-[(4-methoxyphenyl)sulfonylamino]propanoyl]piperidine-3-carboxylic acid
CID 94830904
N-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-4-ethoxybenzenesulfonamide;hydrochloride
CID 119412585
4-fluoro-N-[3-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-3-oxopropyl]benzenesulfonamide
CID 55956692
N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-4-methoxybenzenesulfonamide
CID 31466785
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-4-fluorobenzenesulfonamide
CID 17192158

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-[(3S,4S)-3-methoxy-4-methylpiperidin-1-yl]-3-oxopropyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[3-[(3S,4S)-3-methoxy-4-methylpiperidin-1-yl]-3-oxopropyl]benzenesulfonamide (CID 99789398) is 4-fluoro-N-[3-[(3S,4S)-3-methoxy-4-methylpiperidin-1-yl]-3-oxopropyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[3-[(3S,4S)-3-methoxy-4-methylpiperidin-1-yl]-3-oxopropyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[3-[(3S,4S)-3-methoxy-4-methylpiperidin-1-yl]-3-oxopropyl]benzenesulfonamide is CO[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccc(F)cc2)CC[C@@H]1C.
What is the InChIKey of 4-fluoro-N-[3-[(3S,4S)-3-methoxy-4-methylpiperidin-1-yl]-3-oxopropyl]benzenesulfonamide?
The InChIKey is FFEIKBJUBCLCAT-SWLSCSKDSA-N. The full InChI is InChI=1S/C16H23FN2O4S/c1-12-8-10-19(11-15(12)23-2)16(20)7-9-18-24(21,22)14-5-3-13(17)4-6-14/h3-6,12,15,18H,7-11H2,1-2H3/t12-,15+/m0/s1.
What are the key properties of 4-fluoro-N-[3-[(3S,4S)-3-methoxy-4-methylpiperidin-1-yl]-3-oxopropyl]benzenesulfonamide?
4-fluoro-N-[3-[(3S,4S)-3-methoxy-4-methylpiperidin-1-yl]-3-oxopropyl]benzenesulfonamide has a molecular weight of 358.44 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-[(3S,4S)-3-methoxy-4-methylpiperidin-1-yl]-3-oxopropyl]benzenesulfonamide is sourced from PubChem (CID 99789398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).