4-butoxy-3,5-dichloro-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzamide

C23H28Cl2N2O4S — CID 18848779

IUPAC4-butoxy-3,5-dichloro-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzamide
SMILESCCCCOc1c(Cl)cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3C)cc2)cc1Cl
InChIInChI=1S/C23H28Cl2N2O4S/c1-3-4-13-31-22-20(24)14-17(15-21(22)25)23(28)26-18-8-10-19(11-9-18)32(29,30)27-12-6-5-7-16(27)2/h8-11,14-16H,3-7,12-13H2,1-2H3,(H,26,28)
InChIKeyAPLZQILQKZILBI-UHFFFAOYSA-N
MW499.46 g/mol
LogP5.99
Rot. Bonds8

About 4-butoxy-3,5-dichloro-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzamide

4-butoxy-3,5-dichloro-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzamide (PubChem CID 18848779) has the molecular formula C23H28Cl2N2O4S and a molecular weight of 499.46 g/mol. Its IUPAC name is 4-butoxy-3,5-dichloro-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzamide.

Molecular Properties

Compound Name4-butoxy-3,5-dichloro-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzamide
PubChem CID18848779
Molecular FormulaC23H28Cl2N2O4S
Molecular Weight499.46 g/mol
Exact Mass498.11
IUPAC Name4-butoxy-3,5-dichloro-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzamide
SMILESCCCCOc1c(Cl)cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3C)cc2)cc1Cl
InChIInChI=1S/C23H28Cl2N2O4S/c1-3-4-13-31-22-20(24)14-17(15-21(22)25)23(28)26-18-8-10-19(11-9-18)32(29,30)27-12-6-5-7-16(27)2/h8-11,14-16H,3-7,12-13H2,1-2H3,(H,26,28)
InChIKeyAPLZQILQKZILBI-UHFFFAOYSA-N
XLogP5.99
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.46
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-butoxy-3,5-dichloro-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dichloro-4-hexoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 18848899
3,5-dichloro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-pentoxybenzamide
CID 18848821
N-(4-chlorophenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 8762440
N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pentanamide
CID 17217685
N-(3-chloro-4-fluorophenyl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9096526
3,5-dichloro-N-[4-(dicyclohexylsulfamoyl)phenyl]-4-propoxybenzamide
CID 18848670
3,5-dichloro-4-pentoxy-N-(4-sulfamoylphenyl)benzamide
CID 18848400
2-(2,4-dichlorophenoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 27012752
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3,4,5-trimethoxybenzamide
CID 3962822
N-[4-(azepan-1-ylsulfonyl)phenyl]-3,5-dichloro-4-methoxybenzamide
CID 1296808
N-(4-acetamidophenyl)-3,5-dichloro-4-pentoxybenzamide
CID 18848410
4-butoxy-3,5-dichloro-N-(3,4-dichlorophenyl)benzamide
CID 18848325

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3,5-dichloro-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzamide?
The IUPAC name of 4-butoxy-3,5-dichloro-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzamide (CID 18848779) is 4-butoxy-3,5-dichloro-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzamide.
What is the SMILES notation for 4-butoxy-3,5-dichloro-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzamide?
The canonical SMILES for 4-butoxy-3,5-dichloro-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzamide is CCCCOc1c(Cl)cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3C)cc2)cc1Cl.
What is the InChIKey of 4-butoxy-3,5-dichloro-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzamide?
The InChIKey is APLZQILQKZILBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28Cl2N2O4S/c1-3-4-13-31-22-20(24)14-17(15-21(22)25)23(28)26-18-8-10-19(11-9-18)32(29,30)27-12-6-5-7-16(27)2/h8-11,14-16H,3-7,12-13H2,1-2H3,(H,26,28).
What are the key properties of 4-butoxy-3,5-dichloro-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzamide?
4-butoxy-3,5-dichloro-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzamide has a molecular weight of 499.46 g/mol, XLogP of 5.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3,5-dichloro-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzamide is sourced from PubChem (CID 18848779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).