N-[(2R)-1-[4-[(4-chlorophenyl)sulfonylamino]piperidin-1-yl]-1-oxopropan-2-yl]benzamide

C21H24ClN3O4S — CID 94091187

IUPACN-[(2R)-1-[4-[(4-chlorophenyl)sulfonylamino]piperidin-1-yl]-1-oxopropan-2-yl]benzamide
SMILESC[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H24ClN3O4S/c1-15(23-20(26)16-5-3-2-4-6-16)21(27)25-13-11-18(12-14-25)24-30(28,29)19-9-7-17(22)8-10-19/h2-10,15,18,24H,11-14H2,1H3,(H,23,26)/t15-/m1/s1
InChIKeyUKWKWHYEQQZYAH-OAHLLOKOSA-N
MW449.96 g/mol
LogP2.43
Rot. Bonds6

About N-[(2R)-1-[4-[(4-chlorophenyl)sulfonylamino]piperidin-1-yl]-1-oxopropan-2-yl]benzamide

N-[(2R)-1-[4-[(4-chlorophenyl)sulfonylamino]piperidin-1-yl]-1-oxopropan-2-yl]benzamide (PubChem CID 94091187) has the molecular formula C21H24ClN3O4S and a molecular weight of 449.96 g/mol. Its IUPAC name is N-[(2R)-1-[4-[(4-chlorophenyl)sulfonylamino]piperidin-1-yl]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2R)-1-[4-[(4-chlorophenyl)sulfonylamino]piperidin-1-yl]-1-oxopropan-2-yl]benzamide
PubChem CID94091187
Molecular FormulaC21H24ClN3O4S
Molecular Weight449.96 g/mol
Exact Mass449.12
IUPAC NameN-[(2R)-1-[4-[(4-chlorophenyl)sulfonylamino]piperidin-1-yl]-1-oxopropan-2-yl]benzamide
SMILESC[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H24ClN3O4S/c1-15(23-20(26)16-5-3-2-4-6-16)21(27)25-13-11-18(12-14-25)24-30(28,29)19-9-7-17(22)8-10-19/h2-10,15,18,24H,11-14H2,1H3,(H,23,26)/t15-/m1/s1
InChIKeyUKWKWHYEQQZYAH-OAHLLOKOSA-N
XLogP2.43
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.96
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(4-chlorobenzoyl)amino]propanoyl]piperidine-4-carboxylic acid
CID 119349897
N-[2-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-2-oxoethyl]benzamide
CID 50823425
4-chloro-N-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]benzenesulfonamide
CID 50823468
4-chloro-N-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
CID 112760576
N-[1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 66291291
N-[2-[4-[(4-ethylphenyl)sulfonylamino]piperidin-1-yl]-2-oxoethyl]benzamide
CID 108564014
N-[(2R)-1-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 38168403
N-[1-[2-(2,3-dichlorophenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide
CID 55690364
N-[4-[[1-(4-chlorobenzoyl)piperidin-4-yl]sulfamoyl]phenyl]acetamide
CID 108563915
4-methoxy-N-[1-(2-phenoxypropanoyl)piperidin-4-yl]benzenesulfonamide
CID 50823767
N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide
CID 108565261
N-[(2R)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]benzamide
CID 94035900

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[4-[(4-chlorophenyl)sulfonylamino]piperidin-1-yl]-1-oxopropan-2-yl]benzamide?
The IUPAC name of N-[(2R)-1-[4-[(4-chlorophenyl)sulfonylamino]piperidin-1-yl]-1-oxopropan-2-yl]benzamide (CID 94091187) is N-[(2R)-1-[4-[(4-chlorophenyl)sulfonylamino]piperidin-1-yl]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for N-[(2R)-1-[4-[(4-chlorophenyl)sulfonylamino]piperidin-1-yl]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for N-[(2R)-1-[4-[(4-chlorophenyl)sulfonylamino]piperidin-1-yl]-1-oxopropan-2-yl]benzamide is C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[(2R)-1-[4-[(4-chlorophenyl)sulfonylamino]piperidin-1-yl]-1-oxopropan-2-yl]benzamide?
The InChIKey is UKWKWHYEQQZYAH-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H24ClN3O4S/c1-15(23-20(26)16-5-3-2-4-6-16)21(27)25-13-11-18(12-14-25)24-30(28,29)19-9-7-17(22)8-10-19/h2-10,15,18,24H,11-14H2,1H3,(H,23,26)/t15-/m1/s1.
What are the key properties of N-[(2R)-1-[4-[(4-chlorophenyl)sulfonylamino]piperidin-1-yl]-1-oxopropan-2-yl]benzamide?
N-[(2R)-1-[4-[(4-chlorophenyl)sulfonylamino]piperidin-1-yl]-1-oxopropan-2-yl]benzamide has a molecular weight of 449.96 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[4-[(4-chlorophenyl)sulfonylamino]piperidin-1-yl]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 94091187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).