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

C21H26BrN3O3S — CID 24818213

IUPACN-(1-benzylpiperidin-4-yl)-3-[(4-bromophenyl)sulfonylamino]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Br)cc1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H26BrN3O3S/c22-18-6-8-20(9-7-18)29(27,28)23-13-10-21(26)24-19-11-14-25(15-12-19)16-17-4-2-1-3-5-17/h1-9,19,23H,10-16H2,(H,24,26)
InChIKeyGUEVYOJIHGUMAV-UHFFFAOYSA-N
MW480.43 g/mol
LogP2.90
Rot. Bonds8

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

N-(1-benzylpiperidin-4-yl)-3-[(4-bromophenyl)sulfonylamino]propanamide (PubChem CID 24818213) has the molecular formula C21H26BrN3O3S and a molecular weight of 480.43 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-[(4-bromophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-[(4-bromophenyl)sulfonylamino]propanamide
PubChem CID24818213
Molecular FormulaC21H26BrN3O3S
Molecular Weight480.43 g/mol
Exact Mass479.09
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-[(4-bromophenyl)sulfonylamino]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Br)cc1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H26BrN3O3S/c22-18-6-8-20(9-7-18)29(27,28)23-13-10-21(26)24-19-11-14-25(15-12-19)16-17-4-2-1-3-5-17/h1-9,19,23H,10-16H2,(H,24,26)
InChIKeyGUEVYOJIHGUMAV-UHFFFAOYSA-N
XLogP2.90
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.43
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-[(4-bromophenyl)sulfonylamino]propanamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-[(4-bromophenyl)sulfonylamino]propanamide (CID 24818213) is N-(1-benzylpiperidin-4-yl)-3-[(4-bromophenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-[(4-bromophenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-[(4-bromophenyl)sulfonylamino]propanamide is O=C(CCNS(=O)(=O)c1ccc(Br)cc1)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-[(4-bromophenyl)sulfonylamino]propanamide?
The InChIKey is GUEVYOJIHGUMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26BrN3O3S/c22-18-6-8-20(9-7-18)29(27,28)23-13-10-21(26)24-19-11-14-25(15-12-19)16-17-4-2-1-3-5-17/h1-9,19,23H,10-16H2,(H,24,26).
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-[(4-bromophenyl)sulfonylamino]propanamide?
N-(1-benzylpiperidin-4-yl)-3-[(4-bromophenyl)sulfonylamino]propanamide has a molecular weight of 480.43 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3-[(4-bromophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 24818213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).