4-[(2-bromo-5-fluorophenyl)methyl]-1-[2-[4-(sulfamoylamino)cyclohexyl]ethyl]piperidine

C20H31BrFN3O2S — CID 23029499

IUPAC4-[(2-bromo-5-fluorophenyl)methyl]-1-[2-[4-(sulfamoylamino)cyclohexyl]ethyl]piperidine
SMILESNS(=O)(=O)NC1CCC(CCN2CCC(Cc3cc(F)ccc3Br)CC2)CC1
InChIInChI=1S/C20H31BrFN3O2S/c21-20-6-3-18(22)14-17(20)13-16-8-11-25(12-9-16)10-7-15-1-4-19(5-2-15)24-28(23,26)27/h3,6,14-16,19,24H,1-2,4-5,7-13H2,(H2,23,26,27)
InChIKeyWYYNSOVJYMOCCG-UHFFFAOYSA-N
MW476.46 g/mol
LogP3.58
Rot. Bonds7

About 4-[(2-bromo-5-fluorophenyl)methyl]-1-[2-[4-(sulfamoylamino)cyclohexyl]ethyl]piperidine

4-[(2-bromo-5-fluorophenyl)methyl]-1-[2-[4-(sulfamoylamino)cyclohexyl]ethyl]piperidine (PubChem CID 23029499) has the molecular formula C20H31BrFN3O2S and a molecular weight of 476.46 g/mol. Its IUPAC name is 4-[(2-bromo-5-fluorophenyl)methyl]-1-[2-[4-(sulfamoylamino)cyclohexyl]ethyl]piperidine.

Molecular Properties

Compound Name4-[(2-bromo-5-fluorophenyl)methyl]-1-[2-[4-(sulfamoylamino)cyclohexyl]ethyl]piperidine
PubChem CID23029499
Molecular FormulaC20H31BrFN3O2S
Molecular Weight476.46 g/mol
Exact Mass475.13
IUPAC Name4-[(2-bromo-5-fluorophenyl)methyl]-1-[2-[4-(sulfamoylamino)cyclohexyl]ethyl]piperidine
SMILESNS(=O)(=O)NC1CCC(CCN2CCC(Cc3cc(F)ccc3Br)CC2)CC1
InChIInChI=1S/C20H31BrFN3O2S/c21-20-6-3-18(22)14-17(20)13-16-8-11-25(12-9-16)10-7-15-1-4-19(5-2-15)24-28(23,26)27/h3,6,14-16,19,24H,1-2,4-5,7-13H2,(H2,23,26,27)
InChIKeyWYYNSOVJYMOCCG-UHFFFAOYSA-N
XLogP3.58
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.46
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-bromo-5-fluorophenyl)methyl]-1-[2-[4-(dimethylsulfamoylamino)cyclohexyl]ethyl]piperidine
CID 23028921
4-[(2-bromo-5-methoxyphenyl)methyl]-1-[3-[4-(sulfamoylamino)cyclohexyl]propyl]piperidine
CID 23029213
4-[2-[4-[(2-bromo-5-fluorophenyl)methyl]piperidin-1-yl]ethyl]-N-(2-methoxyethyl)cyclohexan-1-amine
CID 23029453
N-[4-[2-[4-[(2-bromo-5-methoxyphenyl)methyl]piperidin-1-yl]ethyl]cyclohexyl]pyrrolidine-1-sulfonamide
CID 23029105
4-[3-[4-[(2-bromo-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]propyl]-N-(methylsulfamoyl)cyclohexan-1-amine
CID 23029745
4-[2-[4-[(2-bromo-5-chlorophenyl)methyl]piperidin-1-yl]ethyl]cyclohexan-1-ol
CID 23029491
4-[2-[4-[(2-bromo-5-fluorophenyl)methyl]piperidin-1-yl]ethyl]-1-cyclohexyl-1,3-diazinan-2-one
CID 23029343
N-[4-[3-[4-[(2-bromo-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]propyl]cyclohexyl]propane-1-sulfonamide
CID 91017592
N-[4-[3-[4-[(2-bromo-5-fluorophenyl)methyl]piperidin-1-yl]propyl]cyclohexyl]-N-ethyl-2-hydroxyacetamide
CID 23029052
N-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]methanesulfonamide
CID 25205249
1-benzyl-4-[2-[4-[(2-bromo-5-fluorophenyl)methyl]piperidin-1-yl]ethyl]-1,3-diazinan-2-one
CID 23030029
1-[4-[2-[4-[(2-bromo-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]ethyl]cyclohexyl]-3-ethylurea
CID 23030127

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-5-fluorophenyl)methyl]-1-[2-[4-(sulfamoylamino)cyclohexyl]ethyl]piperidine?
The IUPAC name of 4-[(2-bromo-5-fluorophenyl)methyl]-1-[2-[4-(sulfamoylamino)cyclohexyl]ethyl]piperidine (CID 23029499) is 4-[(2-bromo-5-fluorophenyl)methyl]-1-[2-[4-(sulfamoylamino)cyclohexyl]ethyl]piperidine.
What is the SMILES notation for 4-[(2-bromo-5-fluorophenyl)methyl]-1-[2-[4-(sulfamoylamino)cyclohexyl]ethyl]piperidine?
The canonical SMILES for 4-[(2-bromo-5-fluorophenyl)methyl]-1-[2-[4-(sulfamoylamino)cyclohexyl]ethyl]piperidine is NS(=O)(=O)NC1CCC(CCN2CCC(Cc3cc(F)ccc3Br)CC2)CC1.
What is the InChIKey of 4-[(2-bromo-5-fluorophenyl)methyl]-1-[2-[4-(sulfamoylamino)cyclohexyl]ethyl]piperidine?
The InChIKey is WYYNSOVJYMOCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31BrFN3O2S/c21-20-6-3-18(22)14-17(20)13-16-8-11-25(12-9-16)10-7-15-1-4-19(5-2-15)24-28(23,26)27/h3,6,14-16,19,24H,1-2,4-5,7-13H2,(H2,23,26,27).
What are the key properties of 4-[(2-bromo-5-fluorophenyl)methyl]-1-[2-[4-(sulfamoylamino)cyclohexyl]ethyl]piperidine?
4-[(2-bromo-5-fluorophenyl)methyl]-1-[2-[4-(sulfamoylamino)cyclohexyl]ethyl]piperidine has a molecular weight of 476.46 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-5-fluorophenyl)methyl]-1-[2-[4-(sulfamoylamino)cyclohexyl]ethyl]piperidine is sourced from PubChem (CID 23029499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).