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

C14H12Cl2N2O3S — CID 126507182

IUPACN-benzyl-2,4-dichloro-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(Cl)cc1Cl
InChIInChI=1S/C14H12Cl2N2O3S/c15-11-7-12(16)13(22(17,20)21)6-10(11)14(19)18-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,18,19)(H2,17,20,21)
InChIKeyRJDMKEUKPUTKRX-UHFFFAOYSA-N
MW359.23 g/mol
LogP2.57
Rot. Bonds4

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

N-benzyl-2,4-dichloro-5-sulfamoylbenzamide (PubChem CID 126507182) has the molecular formula C14H12Cl2N2O3S and a molecular weight of 359.23 g/mol. Its IUPAC name is N-benzyl-2,4-dichloro-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-benzyl-2,4-dichloro-5-sulfamoylbenzamide
PubChem CID126507182
Molecular FormulaC14H12Cl2N2O3S
Molecular Weight359.23 g/mol
Exact Mass357.99
IUPAC NameN-benzyl-2,4-dichloro-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(Cl)cc1Cl
InChIInChI=1S/C14H12Cl2N2O3S/c15-11-7-12(16)13(22(17,20)21)6-10(11)14(19)18-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,18,19)(H2,17,20,21)
InChIKeyRJDMKEUKPUTKRX-UHFFFAOYSA-N
XLogP2.57
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.23
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,4-dichloro-5-sulfamoylbenzamide?
The IUPAC name of N-benzyl-2,4-dichloro-5-sulfamoylbenzamide (CID 126507182) is N-benzyl-2,4-dichloro-5-sulfamoylbenzamide.
What is the SMILES notation for N-benzyl-2,4-dichloro-5-sulfamoylbenzamide?
The canonical SMILES for N-benzyl-2,4-dichloro-5-sulfamoylbenzamide is NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(Cl)cc1Cl.
What is the InChIKey of N-benzyl-2,4-dichloro-5-sulfamoylbenzamide?
The InChIKey is RJDMKEUKPUTKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O3S/c15-11-7-12(16)13(22(17,20)21)6-10(11)14(19)18-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,18,19)(H2,17,20,21).
What are the key properties of N-benzyl-2,4-dichloro-5-sulfamoylbenzamide?
N-benzyl-2,4-dichloro-5-sulfamoylbenzamide has a molecular weight of 359.23 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,4-dichloro-5-sulfamoylbenzamide is sourced from PubChem (CID 126507182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).