4-[(4-fluorosulfonyloxyphenyl)carbamoylamino]-1-methylsulfonylpiperidine

C13H18FN3O6S2 — CID 118566531

IUPAC4-[(4-fluorosulfonyloxyphenyl)carbamoylamino]-1-methylsulfonylpiperidine
SMILESCS(=O)(=O)N1CCC(NC(=O)Nc2ccc(OS(=O)(=O)F)cc2)CC1
InChIInChI=1S/C13H18FN3O6S2/c1-24(19,20)17-8-6-11(7-9-17)16-13(18)15-10-2-4-12(5-3-10)23-25(14,21)22/h2-5,11H,6-9H2,1H3,(H2,15,16,18)
InChIKeyPHXLSKLYVNGEFH-UHFFFAOYSA-N
MW395.43 g/mol
LogP0.83
Rot. Bonds5

About 4-[(4-fluorosulfonyloxyphenyl)carbamoylamino]-1-methylsulfonylpiperidine

4-[(4-fluorosulfonyloxyphenyl)carbamoylamino]-1-methylsulfonylpiperidine (PubChem CID 118566531) has the molecular formula C13H18FN3O6S2 and a molecular weight of 395.43 g/mol. Its IUPAC name is 4-[(4-fluorosulfonyloxyphenyl)carbamoylamino]-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name4-[(4-fluorosulfonyloxyphenyl)carbamoylamino]-1-methylsulfonylpiperidine
PubChem CID118566531
Molecular FormulaC13H18FN3O6S2
Molecular Weight395.43 g/mol
Exact Mass395.06
IUPAC Name4-[(4-fluorosulfonyloxyphenyl)carbamoylamino]-1-methylsulfonylpiperidine
SMILESCS(=O)(=O)N1CCC(NC(=O)Nc2ccc(OS(=O)(=O)F)cc2)CC1
InChIInChI=1S/C13H18FN3O6S2/c1-24(19,20)17-8-6-11(7-9-17)16-13(18)15-10-2-4-12(5-3-10)23-25(14,21)22/h2-5,11H,6-9H2,1H3,(H2,15,16,18)
InChIKeyPHXLSKLYVNGEFH-UHFFFAOYSA-N
XLogP0.83
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-[(4-fluorosulfonyloxyphenyl)carbamoylamino]piperidine-1-carboxylate
CID 118561851
1-[6-(methylamino)-3-pyridinyl]-3-(1-methylsulfonylpiperidin-4-yl)urea
CID 53498208
1-(3-chloro-4-fluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)urea
CID 110706232
1-(2-methyl-1,3-dioxoisoindol-5-yl)-3-(1-methylsulfonylpiperidin-4-yl)urea
CID 24664745
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylsulfonylpiperidin-4-yl)urea
CID 72865261
4-methoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 39999639
1-(1-acetylpiperidin-4-yl)-3-(4-methylsulfonylphenyl)urea
CID 25069812
1-(5-methyl-1,2-oxazol-3-yl)-3-(1-methylsulfonylpiperidin-4-yl)urea
CID 24657976
1-cyclopropyl-3-(4-ethoxyphenyl)urea
CID 17264486
N-[4-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide
CID 24612546
1-(1-acetylpiperidin-4-yl)-3-(4-phenoxyphenyl)urea
CID 25070785
1-(4-methylphenyl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]urea
CID 94779137

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorosulfonyloxyphenyl)carbamoylamino]-1-methylsulfonylpiperidine?
The IUPAC name of 4-[(4-fluorosulfonyloxyphenyl)carbamoylamino]-1-methylsulfonylpiperidine (CID 118566531) is 4-[(4-fluorosulfonyloxyphenyl)carbamoylamino]-1-methylsulfonylpiperidine.
What is the SMILES notation for 4-[(4-fluorosulfonyloxyphenyl)carbamoylamino]-1-methylsulfonylpiperidine?
The canonical SMILES for 4-[(4-fluorosulfonyloxyphenyl)carbamoylamino]-1-methylsulfonylpiperidine is CS(=O)(=O)N1CCC(NC(=O)Nc2ccc(OS(=O)(=O)F)cc2)CC1.
What is the InChIKey of 4-[(4-fluorosulfonyloxyphenyl)carbamoylamino]-1-methylsulfonylpiperidine?
The InChIKey is PHXLSKLYVNGEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O6S2/c1-24(19,20)17-8-6-11(7-9-17)16-13(18)15-10-2-4-12(5-3-10)23-25(14,21)22/h2-5,11H,6-9H2,1H3,(H2,15,16,18).
What are the key properties of 4-[(4-fluorosulfonyloxyphenyl)carbamoylamino]-1-methylsulfonylpiperidine?
4-[(4-fluorosulfonyloxyphenyl)carbamoylamino]-1-methylsulfonylpiperidine has a molecular weight of 395.43 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorosulfonyloxyphenyl)carbamoylamino]-1-methylsulfonylpiperidine is sourced from PubChem (CID 118566531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).