3,5-dichloro-N-[4-(dicyclohexylsulfamoyl)phenyl]-4-propoxybenzamide

C28H36Cl2N2O4S — CID 18848670

IUPAC3,5-dichloro-N-[4-(dicyclohexylsulfamoyl)phenyl]-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)Nc2ccc(S(=O)(=O)N(C3CCCCC3)C3CCCCC3)cc2)cc1Cl
InChIInChI=1S/C28H36Cl2N2O4S/c1-2-17-36-27-25(29)18-20(19-26(27)30)28(33)31-21-13-15-24(16-14-21)37(34,35)32(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h13-16,18-19,22-23H,2-12,17H2,1H3,(H,31,33)
InChIKeyAXWWXELYLFKXCU-UHFFFAOYSA-N
MW567.58 g/mol
LogP7.69
Rot. Bonds9

About 3,5-dichloro-N-[4-(dicyclohexylsulfamoyl)phenyl]-4-propoxybenzamide

3,5-dichloro-N-[4-(dicyclohexylsulfamoyl)phenyl]-4-propoxybenzamide (PubChem CID 18848670) has the molecular formula C28H36Cl2N2O4S and a molecular weight of 567.58 g/mol. Its IUPAC name is 3,5-dichloro-N-[4-(dicyclohexylsulfamoyl)phenyl]-4-propoxybenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[4-(dicyclohexylsulfamoyl)phenyl]-4-propoxybenzamide
PubChem CID18848670
Molecular FormulaC28H36Cl2N2O4S
Molecular Weight567.58 g/mol
Exact Mass566.18
IUPAC Name3,5-dichloro-N-[4-(dicyclohexylsulfamoyl)phenyl]-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)Nc2ccc(S(=O)(=O)N(C3CCCCC3)C3CCCCC3)cc2)cc1Cl
InChIInChI=1S/C28H36Cl2N2O4S/c1-2-17-36-27-25(29)18-20(19-26(27)30)28(33)31-21-13-15-24(16-14-21)37(34,35)32(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h13-16,18-19,22-23H,2-12,17H2,1H3,(H,31,33)
InChIKeyAXWWXELYLFKXCU-UHFFFAOYSA-N
XLogP7.69
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.58
LogP ≤ 57.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-propoxybenzamide
CID 17342762
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-propoxybenzamide
CID 4960073
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
3,5-dichloro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-pentoxybenzamide
CID 18848821
N-(4-acetamidophenyl)-3,5-dichloro-4-pentoxybenzamide
CID 18848410
3,5-dichloro-N-(4-chlorophenyl)-4-heptoxybenzamide
CID 18848534
4-butoxy-3,5-dichloro-N-(3,4-dichlorophenyl)benzamide
CID 18848325
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide
CID 4955000
2,4-dichloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-5-fluorobenzamide
CID 16563331
[2-[[4-(dicyclohexylsulfamoyl)phenyl]carbamoyl]phenyl] acetate
CID 18883681

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[4-(dicyclohexylsulfamoyl)phenyl]-4-propoxybenzamide?
The IUPAC name of 3,5-dichloro-N-[4-(dicyclohexylsulfamoyl)phenyl]-4-propoxybenzamide (CID 18848670) is 3,5-dichloro-N-[4-(dicyclohexylsulfamoyl)phenyl]-4-propoxybenzamide.
What is the SMILES notation for 3,5-dichloro-N-[4-(dicyclohexylsulfamoyl)phenyl]-4-propoxybenzamide?
The canonical SMILES for 3,5-dichloro-N-[4-(dicyclohexylsulfamoyl)phenyl]-4-propoxybenzamide is CCCOc1c(Cl)cc(C(=O)Nc2ccc(S(=O)(=O)N(C3CCCCC3)C3CCCCC3)cc2)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-[4-(dicyclohexylsulfamoyl)phenyl]-4-propoxybenzamide?
The InChIKey is AXWWXELYLFKXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36Cl2N2O4S/c1-2-17-36-27-25(29)18-20(19-26(27)30)28(33)31-21-13-15-24(16-14-21)37(34,35)32(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h13-16,18-19,22-23H,2-12,17H2,1H3,(H,31,33).
What are the key properties of 3,5-dichloro-N-[4-(dicyclohexylsulfamoyl)phenyl]-4-propoxybenzamide?
3,5-dichloro-N-[4-(dicyclohexylsulfamoyl)phenyl]-4-propoxybenzamide has a molecular weight of 567.58 g/mol, XLogP of 7.69, 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-(dicyclohexylsulfamoyl)phenyl]-4-propoxybenzamide is sourced from PubChem (CID 18848670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).