N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide

C20H21ClN4O3S — CID 4227181

IUPACN-[2-chloro-5-(dimethylsulfamoyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3Cl)cc2)n1
InChIInChI=1S/C20H21ClN4O3S/c1-13-11-14(2)25(23-13)16-7-5-15(6-8-16)20(26)22-19-12-17(9-10-18(19)21)29(27,28)24(3)4/h5-12H,1-4H3,(H,22,26)
InChIKeyJCBWFUDCLOMGHC-UHFFFAOYSA-N
MW432.93 g/mol
LogP3.65
Rot. Bonds5

About N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide

N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide (PubChem CID 4227181) has the molecular formula C20H21ClN4O3S and a molecular weight of 432.93 g/mol. Its IUPAC name is N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-chloro-5-(dimethylsulfamoyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
PubChem CID4227181
Molecular FormulaC20H21ClN4O3S
Molecular Weight432.93 g/mol
Exact Mass432.10
IUPAC NameN-[2-chloro-5-(dimethylsulfamoyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3Cl)cc2)n1
InChIInChI=1S/C20H21ClN4O3S/c1-13-11-14(2)25(23-13)16-7-5-15(6-8-16)20(26)22-19-12-17(9-10-18(19)21)29(27,28)24(3)4/h5-12H,1-4H3,(H,22,26)
InChIKeyJCBWFUDCLOMGHC-UHFFFAOYSA-N
XLogP3.65
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.93
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,5-dimethylpyrazol-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]benzamide
CID 2109137
N-[4-(acetylsulfamoyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 2354077
[4-(4-Chlorophenyl)sulfonylpiperazin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone
CID 2710663
4-(3,5-dimethylpyrazol-1-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4162856
4-(3,5-dimethylpyrazol-1-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide
CID 4290489
1-[4-[4-[4-(4-Chloro-3,5-dimethylpyrazol-1-yl)benzoyl]piperazin-1-yl]sulfonylphenyl]ethanone
CID 4854936
[4-(4-Chloro-3,5-dimethylpyrazol-1-yl)phenyl]-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 4858195
N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-3-(diethylsulfamoyl)benzamide
CID 6892772
N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 6893230
1-(4-chlorophenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-propylpyrazole-4-carboxamide
CID 118725461
4-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylpyrazol-4-yl)benzamide
CID 147117461
4-(3,5-dimethylpyrazol-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]benzamide
CID 3564710

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The IUPAC name of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide (CID 4227181) is N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The canonical SMILES for N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide is Cc1cc(C)n(-c2ccc(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3Cl)cc2)n1.
What is the InChIKey of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The InChIKey is JCBWFUDCLOMGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O3S/c1-13-11-14(2)25(23-13)16-7-5-15(6-8-16)20(26)22-19-12-17(9-10-18(19)21)29(27,28)24(3)4/h5-12H,1-4H3,(H,22,26).
What are the key properties of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide?
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide has a molecular weight of 432.93 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide is sourced from PubChem (CID 4227181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).