2,4-dichloro-5-(dimethylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide

C13H14Cl2N4O3S — CID 5241699

IUPAC2,4-dichloro-5-(dimethylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)Nc2ccn(C)n2)c(Cl)cc1Cl
InChIInChI=1S/C13H14Cl2N4O3S/c1-18(2)23(21,22)11-6-8(9(14)7-10(11)15)13(20)16-12-4-5-19(3)17-12/h4-7H,1-3H3,(H,16,17,20)
InChIKeyCBCIBBINQZJINB-UHFFFAOYSA-N
MW377.25 g/mol
LogP2.23
Rot. Bonds4

About 2,4-dichloro-5-(dimethylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide

2,4-dichloro-5-(dimethylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide (PubChem CID 5241699) has the molecular formula C13H14Cl2N4O3S and a molecular weight of 377.25 g/mol. Its IUPAC name is 2,4-dichloro-5-(dimethylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-5-(dimethylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide
PubChem CID5241699
Molecular FormulaC13H14Cl2N4O3S
Molecular Weight377.25 g/mol
Exact Mass376.02
IUPAC Name2,4-dichloro-5-(dimethylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)Nc2ccn(C)n2)c(Cl)cc1Cl
InChIInChI=1S/C13H14Cl2N4O3S/c1-18(2)23(21,22)11-6-8(9(14)7-10(11)15)13(20)16-12-4-5-19(3)17-12/h4-7H,1-3H3,(H,16,17,20)
InChIKeyCBCIBBINQZJINB-UHFFFAOYSA-N
XLogP2.23
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-(dimethylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide?
The IUPAC name of 2,4-dichloro-5-(dimethylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide (CID 5241699) is 2,4-dichloro-5-(dimethylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide.
What is the SMILES notation for 2,4-dichloro-5-(dimethylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide?
The canonical SMILES for 2,4-dichloro-5-(dimethylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide is CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccn(C)n2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-(dimethylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide?
The InChIKey is CBCIBBINQZJINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4O3S/c1-18(2)23(21,22)11-6-8(9(14)7-10(11)15)13(20)16-12-4-5-19(3)17-12/h4-7H,1-3H3,(H,16,17,20).
What are the key properties of 2,4-dichloro-5-(dimethylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide?
2,4-dichloro-5-(dimethylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide has a molecular weight of 377.25 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-(dimethylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide is sourced from PubChem (CID 5241699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).