N-(4-bromophenyl)-3-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]propanamide

C20H23BrFN3O3S — CID 60508186

IUPACN-(4-bromophenyl)-3-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]propanamide
SMILESO=C(CCN1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1)Nc1ccc(Br)cc1
InChIInChI=1S/C20H23BrFN3O3S/c21-15-1-5-17(6-2-15)23-20(26)11-14-25-12-9-18(10-13-25)24-29(27,28)19-7-3-16(22)4-8-19/h1-8,18,24H,9-14H2,(H,23,26)
InChIKeyDHMDOLJIKWTAEB-UHFFFAOYSA-N
MW484.39 g/mol
LogP3.36
Rot. Bonds7

About N-(4-bromophenyl)-3-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]propanamide

N-(4-bromophenyl)-3-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]propanamide (PubChem CID 60508186) has the molecular formula C20H23BrFN3O3S and a molecular weight of 484.39 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]propanamide
PubChem CID60508186
Molecular FormulaC20H23BrFN3O3S
Molecular Weight484.39 g/mol
Exact Mass483.06
IUPAC NameN-(4-bromophenyl)-3-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]propanamide
SMILESO=C(CCN1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1)Nc1ccc(Br)cc1
InChIInChI=1S/C20H23BrFN3O3S/c21-15-1-5-17(6-2-15)23-20(26)11-14-25-12-9-18(10-13-25)24-29(27,28)19-7-3-16(22)4-8-19/h1-8,18,24H,9-14H2,(H,23,26)
InChIKeyDHMDOLJIKWTAEB-UHFFFAOYSA-N
XLogP3.36
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.39
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 37218704
4-bromo-N-[1-(4-fluorobenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108563657
3-[4-(cyclohexylsulfamoyl)phenyl]-N-(4-fluorophenyl)propanamide
CID 126248632
N-[4-(cyclohexylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 108807070
2-[4-[(4-bromophenyl)sulfonylamino]piperidin-1-yl]acetamide
CID 60707706
N-(4-bromophenyl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 7544356
4-[(4-fluorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)piperidine-1-carboxamide
CID 55647465
N-(4-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]oxyacetamide
CID 9038487
N-(4-bromophenyl)-3-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]propanamide
CID 78896272
N-[4-(cyclopropylsulfamoyl)phenyl]-4-hydroxybutanamide
CID 79191548
6-[3-[(4-bromophenyl)sulfonylamino]pyrrolidin-1-yl]hexanoic acid
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4-(cycloheptylsulfamoyl)-N-(4-fluorophenyl)benzamide
CID 109061223

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]propanamide?
The IUPAC name of N-(4-bromophenyl)-3-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]propanamide (CID 60508186) is N-(4-bromophenyl)-3-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]propanamide.
What is the SMILES notation for N-(4-bromophenyl)-3-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]propanamide?
The canonical SMILES for N-(4-bromophenyl)-3-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]propanamide is O=C(CCN1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-3-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]propanamide?
The InChIKey is DHMDOLJIKWTAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrFN3O3S/c21-15-1-5-17(6-2-15)23-20(26)11-14-25-12-9-18(10-13-25)24-29(27,28)19-7-3-16(22)4-8-19/h1-8,18,24H,9-14H2,(H,23,26).
What are the key properties of N-(4-bromophenyl)-3-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]propanamide?
N-(4-bromophenyl)-3-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]propanamide has a molecular weight of 484.39 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]propanamide is sourced from PubChem (CID 60508186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).