3,5-dichloro-4-pentoxy-N-(4-sulfamoylphenyl)benzamide

C18H20Cl2N2O4S — CID 18848400

IUPAC3,5-dichloro-4-pentoxy-N-(4-sulfamoylphenyl)benzamide
SMILESCCCCCOc1c(Cl)cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1Cl
InChIInChI=1S/C18H20Cl2N2O4S/c1-2-3-4-9-26-17-15(19)10-12(11-16(17)20)18(23)22-13-5-7-14(8-6-13)27(21,24)25/h5-8,10-11H,2-4,9H2,1H3,(H,22,23)(H2,21,24,25)
InChIKeySRXGUSBZVGPIDQ-UHFFFAOYSA-N
MW431.34 g/mol
LogP4.46
Rot. Bonds8

About 3,5-dichloro-4-pentoxy-N-(4-sulfamoylphenyl)benzamide

3,5-dichloro-4-pentoxy-N-(4-sulfamoylphenyl)benzamide (PubChem CID 18848400) has the molecular formula C18H20Cl2N2O4S and a molecular weight of 431.34 g/mol. Its IUPAC name is 3,5-dichloro-4-pentoxy-N-(4-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name3,5-dichloro-4-pentoxy-N-(4-sulfamoylphenyl)benzamide
PubChem CID18848400
Molecular FormulaC18H20Cl2N2O4S
Molecular Weight431.34 g/mol
Exact Mass430.05
IUPAC Name3,5-dichloro-4-pentoxy-N-(4-sulfamoylphenyl)benzamide
SMILESCCCCCOc1c(Cl)cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1Cl
InChIInChI=1S/C18H20Cl2N2O4S/c1-2-3-4-9-26-17-15(19)10-12(11-16(17)20)18(23)22-13-5-7-14(8-6-13)27(21,24)25/h5-8,10-11H,2-4,9H2,1H3,(H,22,23)(H2,21,24,25)
InChIKeySRXGUSBZVGPIDQ-UHFFFAOYSA-N
XLogP4.46
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.34
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidophenyl)-3,5-dichloro-4-pentoxybenzamide
CID 18848410
3,5-dichloro-N-(4-chlorophenyl)-4-heptoxybenzamide
CID 18848534
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
4-heptoxy-N-(4-sulfamoylphenyl)benzamide
CID 4950602
ethyl 4-[(4-butoxy-3,5-dichlorobenzoyl)amino]benzoate
CID 18848348
4-butoxy-3,5-dichloro-N-(3,4-dichlorophenyl)benzamide
CID 18848325
3,5-dichloro-N-(3-chlorophenyl)-4-heptoxybenzamide
CID 18848533
4-butoxy-3,5-dichloro-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 18848779
4-butoxy-3-chloro-N-(4-chlorophenyl)-5-ethoxybenzamide
CID 7900588
3,5-dichloro-4-heptoxy-N-(3-nitrophenyl)benzamide
CID 18848538
3,5-dichloro-N-[4-(dicyclohexylsulfamoyl)phenyl]-4-propoxybenzamide
CID 18848670

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-pentoxy-N-(4-sulfamoylphenyl)benzamide?
The IUPAC name of 3,5-dichloro-4-pentoxy-N-(4-sulfamoylphenyl)benzamide (CID 18848400) is 3,5-dichloro-4-pentoxy-N-(4-sulfamoylphenyl)benzamide.
What is the SMILES notation for 3,5-dichloro-4-pentoxy-N-(4-sulfamoylphenyl)benzamide?
The canonical SMILES for 3,5-dichloro-4-pentoxy-N-(4-sulfamoylphenyl)benzamide is CCCCCOc1c(Cl)cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-pentoxy-N-(4-sulfamoylphenyl)benzamide?
The InChIKey is SRXGUSBZVGPIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O4S/c1-2-3-4-9-26-17-15(19)10-12(11-16(17)20)18(23)22-13-5-7-14(8-6-13)27(21,24)25/h5-8,10-11H,2-4,9H2,1H3,(H,22,23)(H2,21,24,25).
What are the key properties of 3,5-dichloro-4-pentoxy-N-(4-sulfamoylphenyl)benzamide?
3,5-dichloro-4-pentoxy-N-(4-sulfamoylphenyl)benzamide has a molecular weight of 431.34 g/mol, XLogP of 4.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-pentoxy-N-(4-sulfamoylphenyl)benzamide is sourced from PubChem (CID 18848400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).