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

C19H23ClN4O3S — CID 60500788

IUPACN-(3-chlorophenyl)-3-[4-(4-sulfamoylphenyl)piperazin-1-yl]propanamide
SMILESNS(=O)(=O)c1ccc(N2CCN(CCC(=O)Nc3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C19H23ClN4O3S/c20-15-2-1-3-16(14-15)22-19(25)8-9-23-10-12-24(13-11-23)17-4-6-18(7-5-17)28(21,26)27/h1-7,14H,8-13H2,(H,22,25)(H2,21,26,27)
InChIKeyZZNHBJCHGYUJSM-UHFFFAOYSA-N
MW422.94 g/mol
LogP2.14
Rot. Bonds6

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

N-(3-chlorophenyl)-3-[4-(4-sulfamoylphenyl)piperazin-1-yl]propanamide (PubChem CID 60500788) has the molecular formula C19H23ClN4O3S and a molecular weight of 422.94 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-[4-(4-sulfamoylphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-[4-(4-sulfamoylphenyl)piperazin-1-yl]propanamide
PubChem CID60500788
Molecular FormulaC19H23ClN4O3S
Molecular Weight422.94 g/mol
Exact Mass422.12
IUPAC NameN-(3-chlorophenyl)-3-[4-(4-sulfamoylphenyl)piperazin-1-yl]propanamide
SMILESNS(=O)(=O)c1ccc(N2CCN(CCC(=O)Nc3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C19H23ClN4O3S/c20-15-2-1-3-16(14-15)22-19(25)8-9-23-10-12-24(13-11-23)17-4-6-18(7-5-17)28(21,26)27/h1-7,14H,8-13H2,(H,22,25)(H2,21,26,27)
InChIKeyZZNHBJCHGYUJSM-UHFFFAOYSA-N
XLogP2.14
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.94
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride
CID 19661841
3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide
CID 42858886
N-(3-chlorophenyl)-3-(4-sulfamoylphenyl)propanamide
CID 24638907
N-(3-chlorophenyl)-3-piperidin-1-ylpropanamide chloride
CID 53313683
N-(3-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
CID 2901592
2-[4-(4-sulfamoylphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 60500983
N-(3-chlorophenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 109014570
N-(4-chloro-2-methylphenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide
CID 78897256
3-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-chlorophenyl)propanamide
CID 55482910
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 25333150
N-(3-chlorophenyl)-3-(1,4-diazepan-1-yl)propanamide
CID 43340911
3-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide
CID 24588553

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-[4-(4-sulfamoylphenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(3-chlorophenyl)-3-[4-(4-sulfamoylphenyl)piperazin-1-yl]propanamide (CID 60500788) is N-(3-chlorophenyl)-3-[4-(4-sulfamoylphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-[4-(4-sulfamoylphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(3-chlorophenyl)-3-[4-(4-sulfamoylphenyl)piperazin-1-yl]propanamide is NS(=O)(=O)c1ccc(N2CCN(CCC(=O)Nc3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-3-[4-(4-sulfamoylphenyl)piperazin-1-yl]propanamide?
The InChIKey is ZZNHBJCHGYUJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O3S/c20-15-2-1-3-16(14-15)22-19(25)8-9-23-10-12-24(13-11-23)17-4-6-18(7-5-17)28(21,26)27/h1-7,14H,8-13H2,(H,22,25)(H2,21,26,27).
What are the key properties of N-(3-chlorophenyl)-3-[4-(4-sulfamoylphenyl)piperazin-1-yl]propanamide?
N-(3-chlorophenyl)-3-[4-(4-sulfamoylphenyl)piperazin-1-yl]propanamide has a molecular weight of 422.94 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-[4-(4-sulfamoylphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 60500788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).