2-chloro-5-(dimethylsulfamoyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide

C20H21ClN4O3S — CID 134000628

IUPAC2-chloro-5-(dimethylsulfamoyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2cnn(-c3ccccc3)c2)c1
InChIInChI=1S/C20H21ClN4O3S/c1-24(2)29(27,28)17-8-9-19(21)18(12-17)20(26)22-11-10-15-13-23-25(14-15)16-6-4-3-5-7-16/h3-9,12-14H,10-11H2,1-2H3,(H,22,26)
InChIKeyFZBUNWGRYSQUMF-UHFFFAOYSA-N
MW432.93 g/mol
LogP2.75
Rot. Bonds7

About 2-chloro-5-(dimethylsulfamoyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide

2-chloro-5-(dimethylsulfamoyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide (PubChem CID 134000628) has the molecular formula C20H21ClN4O3S and a molecular weight of 432.93 g/mol. Its IUPAC name is 2-chloro-5-(dimethylsulfamoyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-(dimethylsulfamoyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
PubChem CID134000628
Molecular FormulaC20H21ClN4O3S
Molecular Weight432.93 g/mol
Exact Mass432.10
IUPAC Name2-chloro-5-(dimethylsulfamoyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2cnn(-c3ccccc3)c2)c1
InChIInChI=1S/C20H21ClN4O3S/c1-24(2)29(27,28)17-8-9-19(21)18(12-17)20(26)22-11-10-15-13-23-25(14-15)16-6-4-3-5-7-16/h3-9,12-14H,10-11H2,1-2H3,(H,22,26)
InChIKeyFZBUNWGRYSQUMF-UHFFFAOYSA-N
XLogP2.75
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.93
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 55505479
2-chloro-5-(diethylsulfamoyl)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 17483208
2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 134000560
2-methyl-5-(methylsulfamoyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 55504805
2-chloro-5-(dimethylsulfamoyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide
CID 46426763
2-chloro-4-nitro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 16613767
2-chloro-N-methyl-5-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 78820035
2-chloro-5-(diethylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 7732727
3-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]thiophene-2-carboxamide
CID 131904380
N-[2-(1-phenylpyrazol-4-yl)ethyl]-4-propan-2-ylsulfonylbenzamide
CID 47045068
N,N-dimethyl-3-[[3-(1-phenylpyrazol-4-yl)propanoylamino]carbamoyl]benzenesulfonamide
CID 26997204
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridine-2-carboxamide
CID 134000627

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(dimethylsulfamoyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-5-(dimethylsulfamoyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide (CID 134000628) is 2-chloro-5-(dimethylsulfamoyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-5-(dimethylsulfamoyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-5-(dimethylsulfamoyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide is CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2cnn(-c3ccccc3)c2)c1.
What is the InChIKey of 2-chloro-5-(dimethylsulfamoyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide?
The InChIKey is FZBUNWGRYSQUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O3S/c1-24(2)29(27,28)17-8-9-19(21)18(12-17)20(26)22-11-10-15-13-23-25(14-15)16-6-4-3-5-7-16/h3-9,12-14H,10-11H2,1-2H3,(H,22,26).
What are the key properties of 2-chloro-5-(dimethylsulfamoyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide?
2-chloro-5-(dimethylsulfamoyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide has a molecular weight of 432.93 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(dimethylsulfamoyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 134000628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).