3,5-dichloro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-pentoxybenzamide

C24H30Cl2N2O4S — CID 18848821

IUPAC3,5-dichloro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-pentoxybenzamide
SMILESCCCCCOc1c(Cl)cc(C(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1Cl
InChIInChI=1S/C24H30Cl2N2O4S/c1-3-4-5-14-32-23-21(25)15-18(16-22(23)26)24(29)27-19-6-8-20(9-7-19)33(30,31)28-12-10-17(2)11-13-28/h6-9,15-17H,3-5,10-14H2,1-2H3,(H,27,29)
InChIKeyBHPNZCNMCALLTD-UHFFFAOYSA-N
MW513.49 g/mol
LogP6.24
Rot. Bonds9

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

3,5-dichloro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-pentoxybenzamide (PubChem CID 18848821) has the molecular formula C24H30Cl2N2O4S and a molecular weight of 513.49 g/mol. Its IUPAC name is 3,5-dichloro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-pentoxybenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-pentoxybenzamide
PubChem CID18848821
Molecular FormulaC24H30Cl2N2O4S
Molecular Weight513.49 g/mol
Exact Mass512.13
IUPAC Name3,5-dichloro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-pentoxybenzamide
SMILESCCCCCOc1c(Cl)cc(C(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1Cl
InChIInChI=1S/C24H30Cl2N2O4S/c1-3-4-5-14-32-23-21(25)15-18(16-22(23)26)24(29)27-19-6-8-20(9-7-19)33(30,31)28-12-10-17(2)11-13-28/h6-9,15-17H,3-5,10-14H2,1-2H3,(H,27,29)
InChIKeyBHPNZCNMCALLTD-UHFFFAOYSA-N
XLogP6.24
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.49
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-4-hexoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 18848899
4-butoxy-3,5-dichloro-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 18848779
3,5-dichloro-4-pentoxy-N-(4-sulfamoylphenyl)benzamide
CID 18848400
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-propoxybenzamide
CID 4938426
2-hexoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 4942049
N-(4-acetamidophenyl)-3,5-dichloro-4-pentoxybenzamide
CID 18848410
3,5-dichloro-N-(4-chlorophenyl)-4-heptoxybenzamide
CID 18848534
5-bromo-2-butoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17349990
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-(propanoylamino)benzamide
CID 3307989
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]octanamide
CID 4958592
6-chloro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]pyridine-3-carboxamide
CID 9492793
N-[4-(azepan-1-ylsulfonyl)phenyl]-3,5-dichloro-4-methoxybenzamide
CID 1296808

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-pentoxybenzamide?
The IUPAC name of 3,5-dichloro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-pentoxybenzamide (CID 18848821) is 3,5-dichloro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-pentoxybenzamide.
What is the SMILES notation for 3,5-dichloro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-pentoxybenzamide?
The canonical SMILES for 3,5-dichloro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-pentoxybenzamide is CCCCCOc1c(Cl)cc(C(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-pentoxybenzamide?
The InChIKey is BHPNZCNMCALLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30Cl2N2O4S/c1-3-4-5-14-32-23-21(25)15-18(16-22(23)26)24(29)27-19-6-8-20(9-7-19)33(30,31)28-12-10-17(2)11-13-28/h6-9,15-17H,3-5,10-14H2,1-2H3,(H,27,29).
What are the key properties of 3,5-dichloro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-pentoxybenzamide?
3,5-dichloro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-pentoxybenzamide has a molecular weight of 513.49 g/mol, XLogP of 6.24, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-pentoxybenzamide is sourced from PubChem (CID 18848821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).