4-[benzyl(ethyl)sulfamoyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide

C21H24N4O3S — CID 25284324

IUPAC4-[benzyl(ethyl)sulfamoyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cc(C)nn2C)cc1
InChIInChI=1S/C21H24N4O3S/c1-4-25(15-17-8-6-5-7-9-17)29(27,28)19-12-10-18(11-13-19)21(26)22-20-14-16(2)23-24(20)3/h5-14H,4,15H2,1-3H3,(H,22,26)
InChIKeyYHCPEMGZZKNFHP-UHFFFAOYSA-N
MW412.52 g/mol
LogP3.19
Rot. Bonds7

About 4-[benzyl(ethyl)sulfamoyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide

4-[benzyl(ethyl)sulfamoyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide (PubChem CID 25284324) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is 4-[benzyl(ethyl)sulfamoyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-[benzyl(ethyl)sulfamoyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide
PubChem CID25284324
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC Name4-[benzyl(ethyl)sulfamoyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cc(C)nn2C)cc1
InChIInChI=1S/C21H24N4O3S/c1-4-25(15-17-8-6-5-7-9-17)29(27,28)19-12-10-18(11-13-19)21(26)22-20-14-16(2)23-24(20)3/h5-14H,4,15H2,1-3H3,(H,22,26)
InChIKeyYHCPEMGZZKNFHP-UHFFFAOYSA-N
XLogP3.19
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)benzamide
CID 42110600
4-[benzyl(ethyl)sulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide
CID 18558936
4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 109060838
N-(2-benzyl-5-methylpyrazol-3-yl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 43052464
4-[benzyl(ethyl)sulfamoyl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide
CID 2051211
4-[benzyl(ethyl)sulfamoyl]-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 4583357
ethyl 2-[[4-[benzyl(ethyl)sulfamoyl]benzoyl]amino]thiophene-3-carboxylate
CID 41044645
4-[benzyl(ethyl)sulfamoyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 4155724
4-[benzyl(ethyl)sulfamoyl]-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43971896
N-[4-(diethylsulfamoyl)phenyl]-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1295864
4-[benzyl(ethyl)sulfamoyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)benzamide
CID 41007497
N-benzyl-N-ethylbenzenesulfonamide
CID 668950

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(ethyl)sulfamoyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide?
The IUPAC name of 4-[benzyl(ethyl)sulfamoyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide (CID 25284324) is 4-[benzyl(ethyl)sulfamoyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide.
What is the SMILES notation for 4-[benzyl(ethyl)sulfamoyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide?
The canonical SMILES for 4-[benzyl(ethyl)sulfamoyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide is CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cc(C)nn2C)cc1.
What is the InChIKey of 4-[benzyl(ethyl)sulfamoyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide?
The InChIKey is YHCPEMGZZKNFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-4-25(15-17-8-6-5-7-9-17)29(27,28)19-12-10-18(11-13-19)21(26)22-20-14-16(2)23-24(20)3/h5-14H,4,15H2,1-3H3,(H,22,26).
What are the key properties of 4-[benzyl(ethyl)sulfamoyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide?
4-[benzyl(ethyl)sulfamoyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide has a molecular weight of 412.52 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(ethyl)sulfamoyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide is sourced from PubChem (CID 25284324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).