4-[[2-(3,4-dichlorophenoxy)phenyl]sulfamoyl]-N-(3-piperidin-1-ylpropyl)benzamide

C27H29Cl2N3O4S — CID 68529823

IUPAC4-[[2-(3,4-dichlorophenoxy)phenyl]sulfamoyl]-N-(3-piperidin-1-ylpropyl)benzamide
SMILESO=C(NCCCN1CCCCC1)c1ccc(S(=O)(=O)Nc2ccccc2Oc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C27H29Cl2N3O4S/c28-23-14-11-21(19-24(23)29)36-26-8-3-2-7-25(26)31-37(34,35)22-12-9-20(10-13-22)27(33)30-15-6-18-32-16-4-1-5-17-32/h2-3,7-14,19,31H,1,4-6,15-18H2,(H,30,33)
InChIKeyYVHKRISXDOPPFS-UHFFFAOYSA-N
MW562.52 g/mol
LogP6.19
Rot. Bonds10

About 4-[[2-(3,4-dichlorophenoxy)phenyl]sulfamoyl]-N-(3-piperidin-1-ylpropyl)benzamide

4-[[2-(3,4-dichlorophenoxy)phenyl]sulfamoyl]-N-(3-piperidin-1-ylpropyl)benzamide (PubChem CID 68529823) has the molecular formula C27H29Cl2N3O4S and a molecular weight of 562.52 g/mol. Its IUPAC name is 4-[[2-(3,4-dichlorophenoxy)phenyl]sulfamoyl]-N-(3-piperidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name4-[[2-(3,4-dichlorophenoxy)phenyl]sulfamoyl]-N-(3-piperidin-1-ylpropyl)benzamide
PubChem CID68529823
Molecular FormulaC27H29Cl2N3O4S
Molecular Weight562.52 g/mol
Exact Mass561.13
IUPAC Name4-[[2-(3,4-dichlorophenoxy)phenyl]sulfamoyl]-N-(3-piperidin-1-ylpropyl)benzamide
SMILESO=C(NCCCN1CCCCC1)c1ccc(S(=O)(=O)Nc2ccccc2Oc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C27H29Cl2N3O4S/c28-23-14-11-21(19-24(23)29)36-26-8-3-2-7-25(26)31-37(34,35)22-12-9-20(10-13-22)27(33)30-15-6-18-32-16-4-1-5-17-32/h2-3,7-14,19,31H,1,4-6,15-18H2,(H,30,33)
InChIKeyYVHKRISXDOPPFS-UHFFFAOYSA-N
XLogP6.19
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.52
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,4-dichlorophenoxy)phenyl]-4-[4-(3-pyrrolidin-1-ylpropyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide
CID 68531721
N-[2-oxo-2-[3-(4-piperidin-1-ylpiperidin-1-yl)propylamino]ethyl]-4-[(2-phenoxyphenyl)sulfamoyl]benzamide
CID 24900839
N-[2-(3,4-dichlorophenoxy)phenyl]-4-[4-[2-(diethylamino)ethyl]piperazine-1-carbonyl]benzenesulfonamide
CID 68527399
4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]benzamide
CID 24900968
N-[2-(3,4-dichlorophenoxy)phenyl]-4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 68533177
2-[4-[4-[[2-(3,4-dichlorophenoxy)phenyl]sulfamoyl]benzoyl]piperazin-1-yl]-N-methyl-N-phenylacetamide
CID 68529167
4-[[2-(4-bromophenoxy)phenyl]sulfamoyl]-N-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethyl]benzamide
CID 68531751
N-[2-(azepan-1-yl)ethyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 37295302
N-[2-(2,4-dichlorophenoxy)phenyl]-4-[4-(3-pyrrolidin-1-ylpropyl)piperazine-1-carbonyl]benzenesulfonamide
CID 68531485
N-[2-oxo-2-(3-piperidin-1-ylpropylamino)ethyl]-4-[(4-phenoxyphenyl)sulfamoyl]benzamide
CID 71008233
3,4-dichloro-N-[3-[4-[3-[(3,4-dichlorobenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 3672547
3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 57448629

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3,4-dichlorophenoxy)phenyl]sulfamoyl]-N-(3-piperidin-1-ylpropyl)benzamide?
The IUPAC name of 4-[[2-(3,4-dichlorophenoxy)phenyl]sulfamoyl]-N-(3-piperidin-1-ylpropyl)benzamide (CID 68529823) is 4-[[2-(3,4-dichlorophenoxy)phenyl]sulfamoyl]-N-(3-piperidin-1-ylpropyl)benzamide.
What is the SMILES notation for 4-[[2-(3,4-dichlorophenoxy)phenyl]sulfamoyl]-N-(3-piperidin-1-ylpropyl)benzamide?
The canonical SMILES for 4-[[2-(3,4-dichlorophenoxy)phenyl]sulfamoyl]-N-(3-piperidin-1-ylpropyl)benzamide is O=C(NCCCN1CCCCC1)c1ccc(S(=O)(=O)Nc2ccccc2Oc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 4-[[2-(3,4-dichlorophenoxy)phenyl]sulfamoyl]-N-(3-piperidin-1-ylpropyl)benzamide?
The InChIKey is YVHKRISXDOPPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29Cl2N3O4S/c28-23-14-11-21(19-24(23)29)36-26-8-3-2-7-25(26)31-37(34,35)22-12-9-20(10-13-22)27(33)30-15-6-18-32-16-4-1-5-17-32/h2-3,7-14,19,31H,1,4-6,15-18H2,(H,30,33).
What are the key properties of 4-[[2-(3,4-dichlorophenoxy)phenyl]sulfamoyl]-N-(3-piperidin-1-ylpropyl)benzamide?
4-[[2-(3,4-dichlorophenoxy)phenyl]sulfamoyl]-N-(3-piperidin-1-ylpropyl)benzamide has a molecular weight of 562.52 g/mol, XLogP of 6.19, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3,4-dichlorophenoxy)phenyl]sulfamoyl]-N-(3-piperidin-1-ylpropyl)benzamide is sourced from PubChem (CID 68529823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).