N-(1-benzylpiperidin-4-yl)-2-[(4-chlorophenyl)sulfonylamino]propanamide

C21H26ClN3O3S — CID 42696611

IUPACN-(1-benzylpiperidin-4-yl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
SMILESCC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H26ClN3O3S/c1-16(24-29(27,28)20-9-7-18(22)8-10-20)21(26)23-19-11-13-25(14-12-19)15-17-5-3-2-4-6-17/h2-10,16,19,24H,11-15H2,1H3,(H,23,26)
InChIKeyJLVWJMJAZAUSLB-UHFFFAOYSA-N
MW435.98 g/mol
LogP2.79
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-2-[(4-chlorophenyl)sulfonylamino]propanamide

N-(1-benzylpiperidin-4-yl)-2-[(4-chlorophenyl)sulfonylamino]propanamide (PubChem CID 42696611) has the molecular formula C21H26ClN3O3S and a molecular weight of 435.98 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-[(4-chlorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
PubChem CID42696611
Molecular FormulaC21H26ClN3O3S
Molecular Weight435.98 g/mol
Exact Mass435.14
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
SMILESCC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H26ClN3O3S/c1-16(24-29(27,28)20-9-7-18(22)8-10-20)21(26)23-19-11-13-25(14-12-19)15-17-5-3-2-4-6-17/h2-10,16,19,24H,11-15H2,1H3,(H,23,26)
InChIKeyJLVWJMJAZAUSLB-UHFFFAOYSA-N
XLogP2.79
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.98
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-cycloheptylpropanamide
CID 51122843
N-(1-benzylpiperidin-4-yl)-2-[(4-bromophenyl)sulfonylamino]pentanamide
CID 42702862
(2S)-2-(benzenesulfonamido)-N-(1-cyclopropylpiperidin-4-yl)propanamide
CID 55939156
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenylmethoxypropanamide
CID 46429379
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-cyclopentyl-3-phenylpropanamide
CID 40931957
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
(2S)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 55958130
(2R)-2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
CID 119835947
4-amino-N-(1-benzylpiperidin-4-yl)-2-methylbutanamide
CID 80541388
N-[3-(aminomethyl)cyclobutyl]-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 154872445
disodium;2-[(1-benzylpiperidin-4-yl)carbamoyl]propane-1,3-disulfonate
CID 59771634
N-(1-benzylpiperidin-4-yl)-4-propan-2-ylbenzamide
CID 26681867

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[(4-chlorophenyl)sulfonylamino]propanamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[(4-chlorophenyl)sulfonylamino]propanamide (CID 42696611) is N-(1-benzylpiperidin-4-yl)-2-[(4-chlorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-[(4-chlorophenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-[(4-chlorophenyl)sulfonylamino]propanamide is CC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-[(4-chlorophenyl)sulfonylamino]propanamide?
The InChIKey is JLVWJMJAZAUSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O3S/c1-16(24-29(27,28)20-9-7-18(22)8-10-20)21(26)23-19-11-13-25(14-12-19)15-17-5-3-2-4-6-17/h2-10,16,19,24H,11-15H2,1H3,(H,23,26).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-[(4-chlorophenyl)sulfonylamino]propanamide?
N-(1-benzylpiperidin-4-yl)-2-[(4-chlorophenyl)sulfonylamino]propanamide has a molecular weight of 435.98 g/mol, XLogP of 2.79, 7 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)-2-[(4-chlorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 42696611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).