3-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide

C20H25ClN4O3S — CID 162676352

IUPAC3-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)CCN2CCN(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C20H25ClN4O3S/c21-17-3-5-18(6-4-17)25-13-11-24(12-14-25)10-9-20(26)23-15-16-1-7-19(8-2-16)29(22,27)28/h1-8H,9-15H2,(H,23,26)(H2,22,27,28)
InChIKeyPRGJBPWRXSZAJA-UHFFFAOYSA-N
MW436.97 g/mol
LogP1.82
Rot. Bonds7

About 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide

3-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide (PubChem CID 162676352) has the molecular formula C20H25ClN4O3S and a molecular weight of 436.97 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide
PubChem CID162676352
Molecular FormulaC20H25ClN4O3S
Molecular Weight436.97 g/mol
Exact Mass436.13
IUPAC Name3-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)CCN2CCN(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C20H25ClN4O3S/c21-17-3-5-18(6-4-17)25-13-11-24(12-14-25)10-9-20(26)23-15-16-1-7-19(8-2-16)29(22,27)28/h1-8H,9-15H2,(H,23,26)(H2,22,27,28)
InChIKeyPRGJBPWRXSZAJA-UHFFFAOYSA-N
XLogP1.82
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.97
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 1130083
2-(4-chloroanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 164614642
N-benzyl-2-[2-chloro(phenylsulfonyl)anilino]acetamide
CID 1203977
1-(benzenesulfonyl)-N-(4-chlorophenyl)piperidine-2-carboxamide
CID 4001201
N-[4-[[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]sulfamoyl]phenyl]acetamide
CID 16330427
2-[(2,4-dichlorophenyl)(phenylsulfonyl)amino]-N-(phenylethyl)acetamide
CID 2851193
N-[4-(dimethylamino)phenyl]-3-{4-[(4-isopropylphenyl)sulfonyl]piperazin-1-yl}propanamide
CID 3241036
N-(4-chlorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 1342233
N-(3-{4-[4-(toluene-4-sulfonylamino)-butyl]-piperazin-1-yl}-phenyl)-propionamide
CID 10072874
(E)-3-[3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylphenyl]-N-hydroxyprop-2-enamide
CID 10194639
Cyclopropanecarboxylic acid (3-{4-[4-(toluene-4-sulfonylamino)-butyl]-piperazin-1-yl}-phenyl)-amide
CID 10254142
N-(3-{4-[4-(toluene-4-sulfonylamino)-butyl]-piperazin-1-yl}-phenyl)-acetamide
CID 10343434

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide?
The IUPAC name of 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide (CID 162676352) is 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide.
What is the SMILES notation for 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide?
The canonical SMILES for 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide is NS(=O)(=O)c1ccc(CNC(=O)CCN2CCN(c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide?
The InChIKey is PRGJBPWRXSZAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O3S/c21-17-3-5-18(6-4-17)25-13-11-24(12-14-25)10-9-20(26)23-15-16-1-7-19(8-2-16)29(22,27)28/h1-8H,9-15H2,(H,23,26)(H2,22,27,28).
What are the key properties of 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide?
3-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide has a molecular weight of 436.97 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide is sourced from PubChem (CID 162676352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).