2,4-dichloro-N-cyclohexyl-5-sulfamoylbenzamide

C13H16Cl2N2O3S — CID 60635034

IUPAC2,4-dichloro-N-cyclohexyl-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(Cl)cc1Cl
InChIInChI=1S/C13H16Cl2N2O3S/c14-10-7-11(15)12(21(16,19)20)6-9(10)13(18)17-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,17,18)(H2,16,19,20)
InChIKeyFYPYZSIHTPQQDJ-UHFFFAOYSA-N
MW351.26 g/mol
LogP2.70
Rot. Bonds3

About 2,4-dichloro-N-cyclohexyl-5-sulfamoylbenzamide

2,4-dichloro-N-cyclohexyl-5-sulfamoylbenzamide (PubChem CID 60635034) has the molecular formula C13H16Cl2N2O3S and a molecular weight of 351.26 g/mol. Its IUPAC name is 2,4-dichloro-N-cyclohexyl-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-cyclohexyl-5-sulfamoylbenzamide
PubChem CID60635034
Molecular FormulaC13H16Cl2N2O3S
Molecular Weight351.26 g/mol
Exact Mass350.03
IUPAC Name2,4-dichloro-N-cyclohexyl-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(Cl)cc1Cl
InChIInChI=1S/C13H16Cl2N2O3S/c14-10-7-11(15)12(21(16,19)20)6-9(10)13(18)17-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,17,18)(H2,16,19,20)
InChIKeyFYPYZSIHTPQQDJ-UHFFFAOYSA-N
XLogP2.70
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.26
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-cyclohexyl-5-sulfamoylbenzamide?
The IUPAC name of 2,4-dichloro-N-cyclohexyl-5-sulfamoylbenzamide (CID 60635034) is 2,4-dichloro-N-cyclohexyl-5-sulfamoylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-cyclohexyl-5-sulfamoylbenzamide?
The canonical SMILES for 2,4-dichloro-N-cyclohexyl-5-sulfamoylbenzamide is NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-cyclohexyl-5-sulfamoylbenzamide?
The InChIKey is FYPYZSIHTPQQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O3S/c14-10-7-11(15)12(21(16,19)20)6-9(10)13(18)17-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,17,18)(H2,16,19,20).
What are the key properties of 2,4-dichloro-N-cyclohexyl-5-sulfamoylbenzamide?
2,4-dichloro-N-cyclohexyl-5-sulfamoylbenzamide has a molecular weight of 351.26 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-cyclohexyl-5-sulfamoylbenzamide is sourced from PubChem (CID 60635034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).