N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-3-(dimethylsulfamoyl)benzamide

C19H18Cl2N4O3S — CID 24525231

IUPACN-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-3-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C19H18Cl2N4O3S/c1-24(2)29(27,28)14-6-3-5-13(11-14)19(26)23-18-9-10-22-25(18)12-15-16(20)7-4-8-17(15)21/h3-11H,12H2,1-2H3,(H,23,26)
InChIKeyZRYVYHBFBMEBLL-UHFFFAOYSA-N
MW453.35 g/mol
LogP3.74
Rot. Bonds6

About N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-3-(dimethylsulfamoyl)benzamide

N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-3-(dimethylsulfamoyl)benzamide (PubChem CID 24525231) has the molecular formula C19H18Cl2N4O3S and a molecular weight of 453.35 g/mol. Its IUPAC name is N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-3-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-3-(dimethylsulfamoyl)benzamide
PubChem CID24525231
Molecular FormulaC19H18Cl2N4O3S
Molecular Weight453.35 g/mol
Exact Mass452.05
IUPAC NameN-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-3-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C19H18Cl2N4O3S/c1-24(2)29(27,28)14-6-3-5-13(11-14)19(26)23-18-9-10-22-25(18)12-15-16(20)7-4-8-17(15)21/h3-11H,12H2,1-2H3,(H,23,26)
InChIKeyZRYVYHBFBMEBLL-UHFFFAOYSA-N
XLogP3.74
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.35
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-(diethylsulfamoyl)-2-fluorobenzamide
CID 38996610
N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 55776753
4-chloro-3-(dimethylsulfamoyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 2485473
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-methylbenzamide
CID 18193320
3-(diethylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 30183038
3-chloro-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 17464648
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-cyanobenzamide
CID 31976011
4-chloro-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-methylsulfonylbenzamide
CID 24509823
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-4-(difluoromethoxy)benzamide
CID 24525267
N-(5-chloro-2-fluorophenyl)-3-(dimethylsulfamoyl)benzamide
CID 2664609
N,N-dimethyl-3-[[[4-(5-methylpyrazol-1-yl)benzoyl]amino]carbamoyl]benzenesulfonamide
CID 34029254
ethyl 2-chloro-4-[[3-(dimethylsulfamoyl)benzoyl]amino]benzoate
CID 100625550

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-3-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-3-(dimethylsulfamoyl)benzamide (CID 24525231) is N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-3-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-3-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-3-(dimethylsulfamoyl)benzamide is CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)c1.
What is the InChIKey of N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-3-(dimethylsulfamoyl)benzamide?
The InChIKey is ZRYVYHBFBMEBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4O3S/c1-24(2)29(27,28)14-6-3-5-13(11-14)19(26)23-18-9-10-22-25(18)12-15-16(20)7-4-8-17(15)21/h3-11H,12H2,1-2H3,(H,23,26).
What are the key properties of N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-3-(dimethylsulfamoyl)benzamide?
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-3-(dimethylsulfamoyl)benzamide has a molecular weight of 453.35 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-3-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 24525231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).