2-chloro-5-(diethylsulfamoyl)-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide

C21H23ClN4O3S — CID 2350148

IUPAC2-chloro-5-(diethylsulfamoyl)-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(C)nn2-c2ccccc2)c1
InChIInChI=1S/C21H23ClN4O3S/c1-4-25(5-2)30(28,29)17-11-12-19(22)18(14-17)21(27)23-20-13-15(3)24-26(20)16-9-7-6-8-10-16/h6-14H,4-5H2,1-3H3,(H,23,27)
InChIKeyMFVLYTFDMKLQKO-UHFFFAOYSA-N
MW446.96 g/mol
LogP4.12
Rot. Bonds7

About 2-chloro-5-(diethylsulfamoyl)-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide

2-chloro-5-(diethylsulfamoyl)-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide (PubChem CID 2350148) has the molecular formula C21H23ClN4O3S and a molecular weight of 446.96 g/mol. Its IUPAC name is 2-chloro-5-(diethylsulfamoyl)-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name2-chloro-5-(diethylsulfamoyl)-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
PubChem CID2350148
Molecular FormulaC21H23ClN4O3S
Molecular Weight446.96 g/mol
Exact Mass446.12
IUPAC Name2-chloro-5-(diethylsulfamoyl)-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(C)nn2-c2ccccc2)c1
InChIInChI=1S/C21H23ClN4O3S/c1-4-25(5-2)30(28,29)17-11-12-19(22)18(14-17)21(27)23-20-13-15(3)24-26(20)16-9-7-6-8-10-16/h6-14H,4-5H2,1-3H3,(H,23,27)
InChIKeyMFVLYTFDMKLQKO-UHFFFAOYSA-N
XLogP4.12
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.96
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(diethylsulfamoyl)-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide?
The IUPAC name of 2-chloro-5-(diethylsulfamoyl)-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide (CID 2350148) is 2-chloro-5-(diethylsulfamoyl)-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide.
What is the SMILES notation for 2-chloro-5-(diethylsulfamoyl)-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide?
The canonical SMILES for 2-chloro-5-(diethylsulfamoyl)-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide is CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(C)nn2-c2ccccc2)c1.
What is the InChIKey of 2-chloro-5-(diethylsulfamoyl)-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide?
The InChIKey is MFVLYTFDMKLQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O3S/c1-4-25(5-2)30(28,29)17-11-12-19(22)18(14-17)21(27)23-20-13-15(3)24-26(20)16-9-7-6-8-10-16/h6-14H,4-5H2,1-3H3,(H,23,27).
What are the key properties of 2-chloro-5-(diethylsulfamoyl)-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide?
2-chloro-5-(diethylsulfamoyl)-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide has a molecular weight of 446.96 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(diethylsulfamoyl)-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide is sourced from PubChem (CID 2350148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).