N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide

C21H22Cl2N4O4S — CID 16601749

IUPACN-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2Cl)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C21H22Cl2N4O4S/c1-13(2)26-32(29,30)19-10-14(5-7-18(19)31-3)21(28)25-20-8-9-24-27(20)12-15-4-6-16(22)11-17(15)23/h4-11,13,26H,12H2,1-3H3,(H,25,28)
InChIKeyJILLAZLLXSFPSS-UHFFFAOYSA-N
MW497.40 g/mol
LogP4.19
Rot. Bonds8

About N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide

N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide (PubChem CID 16601749) has the molecular formula C21H22Cl2N4O4S and a molecular weight of 497.40 g/mol. Its IUPAC name is N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
PubChem CID16601749
Molecular FormulaC21H22Cl2N4O4S
Molecular Weight497.40 g/mol
Exact Mass496.07
IUPAC NameN-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2Cl)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C21H22Cl2N4O4S/c1-13(2)26-32(29,30)19-10-14(5-7-18(19)31-3)21(28)25-20-8-9-24-27(20)12-15-4-6-16(22)11-17(15)23/h4-11,13,26H,12H2,1-3H3,(H,25,28)
InChIKeyJILLAZLLXSFPSS-UHFFFAOYSA-N
XLogP4.19
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.40
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dichlorophenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 40742127
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,4,5-trimethoxybenzamide
CID 55435526
5-[[(4-chlorobenzoyl)amino]carbamoyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 35158676
2-bromo-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-methoxybenzamide
CID 46632512
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methoxyacetamide
CID 47020457
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-(ethylamino)-3-nitrobenzamide
CID 16960619
N-butan-2-yl-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 45373494
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methyl-5-methylsulfonylbenzamide
CID 16568046
2-chloro-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-6-fluorobenzamide
CID 55435457
2-chloro-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4,5-difluorobenzamide
CID 55435501
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]pyrazine-2-carboxamide
CID 16567956
4-methoxy-N-(2-methylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 40742114

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide (CID 16601749) is N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide is COc1ccc(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2Cl)cc1S(=O)(=O)NC(C)C.
What is the InChIKey of N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is JILLAZLLXSFPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N4O4S/c1-13(2)26-32(29,30)19-10-14(5-7-18(19)31-3)21(28)25-20-8-9-24-27(20)12-15-4-6-16(22)11-17(15)23/h4-11,13,26H,12H2,1-3H3,(H,25,28).
What are the key properties of N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide?
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 497.40 g/mol, XLogP of 4.19, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 16601749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).