2-[4-[(4-bromophenyl)sulfonylamino]piperidin-1-yl]acetamide

C13H18BrN3O3S — CID 60707706

IUPAC2-[4-[(4-bromophenyl)sulfonylamino]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(NS(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C13H18BrN3O3S/c14-10-1-3-12(4-2-10)21(19,20)16-11-5-7-17(8-6-11)9-13(15)18/h1-4,11,16H,5-9H2,(H2,15,18)
InChIKeyQVWOMAQIFCYOIB-UHFFFAOYSA-N
MW376.28 g/mol
LogP0.68
Rot. Bonds5

About 2-[4-[(4-bromophenyl)sulfonylamino]piperidin-1-yl]acetamide

2-[4-[(4-bromophenyl)sulfonylamino]piperidin-1-yl]acetamide (PubChem CID 60707706) has the molecular formula C13H18BrN3O3S and a molecular weight of 376.28 g/mol. Its IUPAC name is 2-[4-[(4-bromophenyl)sulfonylamino]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(4-bromophenyl)sulfonylamino]piperidin-1-yl]acetamide
PubChem CID60707706
Molecular FormulaC13H18BrN3O3S
Molecular Weight376.28 g/mol
Exact Mass375.03
IUPAC Name2-[4-[(4-bromophenyl)sulfonylamino]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(NS(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C13H18BrN3O3S/c14-10-1-3-12(4-2-10)21(19,20)16-11-5-7-17(8-6-11)9-13(15)18/h1-4,11,16H,5-9H2,(H2,15,18)
InChIKeyQVWOMAQIFCYOIB-UHFFFAOYSA-N
XLogP0.68
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.28
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-(cyclopropylsulfamoyl)benzamide
CID 18278929
2-[4-[(3,5-dichlorophenyl)sulfonylamino]piperidin-1-yl]acetamide
CID 86915412
ethyl 4-[(4-bromophenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945526
6-[3-[(4-bromophenyl)sulfonylamino]pyrrolidin-1-yl]hexanoic acid
CID 139613526
2-[4-(bromomethylsulfonylamino)piperidin-1-yl]acetamide
CID 83084786
N-(4-bromophenyl)-3-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]propanamide
CID 60508186
N-[(3S)-1-benzylpyrrolidin-3-yl]-4-bromobenzenesulfonamide
CID 40783049
4-bromo-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108563627
4-bromo-N-[1-(4-fluorobenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108563657
N-[1-(2-methylprop-2-enyl)piperidin-4-yl]benzenesulfonamide
CID 47017423
4-bromo-N-(1,1-dioxothian-4-yl)benzenesulfonamide
CID 59744414
N-(4-bromophenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetamide
CID 55475048

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-bromophenyl)sulfonylamino]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[(4-bromophenyl)sulfonylamino]piperidin-1-yl]acetamide (CID 60707706) is 2-[4-[(4-bromophenyl)sulfonylamino]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(4-bromophenyl)sulfonylamino]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[(4-bromophenyl)sulfonylamino]piperidin-1-yl]acetamide is NC(=O)CN1CCC(NS(=O)(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 2-[4-[(4-bromophenyl)sulfonylamino]piperidin-1-yl]acetamide?
The InChIKey is QVWOMAQIFCYOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O3S/c14-10-1-3-12(4-2-10)21(19,20)16-11-5-7-17(8-6-11)9-13(15)18/h1-4,11,16H,5-9H2,(H2,15,18).
What are the key properties of 2-[4-[(4-bromophenyl)sulfonylamino]piperidin-1-yl]acetamide?
2-[4-[(4-bromophenyl)sulfonylamino]piperidin-1-yl]acetamide has a molecular weight of 376.28 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-bromophenyl)sulfonylamino]piperidin-1-yl]acetamide is sourced from PubChem (CID 60707706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).