2-chloro-N-(2,4-dimethoxyphenyl)-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylsulfamoyl]benzamide

C27H27ClN4O6S — CID 2348540

IUPAC2-chloro-N-(2,4-dimethoxyphenyl)-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylsulfamoyl]benzamide
SMILESCOc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)c3c(C)n(C)n(-c4ccccc4)c3=O)ccc2Cl)c(OC)c1
InChIInChI=1S/C27H27ClN4O6S/c1-17-25(27(34)32(30(17)2)18-9-7-6-8-10-18)31(3)39(35,36)20-12-13-22(28)21(16-20)26(33)29-23-14-11-19(37-4)15-24(23)38-5/h6-16H,1-5H3,(H,29,33)
InChIKeyWYDPPRKNYOUKDF-UHFFFAOYSA-N
MW571.06 g/mol
LogP4.23
Rot. Bonds8

About 2-chloro-N-(2,4-dimethoxyphenyl)-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylsulfamoyl]benzamide

2-chloro-N-(2,4-dimethoxyphenyl)-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylsulfamoyl]benzamide (PubChem CID 2348540) has the molecular formula C27H27ClN4O6S and a molecular weight of 571.06 g/mol. Its IUPAC name is 2-chloro-N-(2,4-dimethoxyphenyl)-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylsulfamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-(2,4-dimethoxyphenyl)-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylsulfamoyl]benzamide
PubChem CID2348540
Molecular FormulaC27H27ClN4O6S
Molecular Weight571.06 g/mol
Exact Mass570.13
IUPAC Name2-chloro-N-(2,4-dimethoxyphenyl)-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylsulfamoyl]benzamide
SMILESCOc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)c3c(C)n(C)n(-c4ccccc4)c3=O)ccc2Cl)c(OC)c1
InChIInChI=1S/C27H27ClN4O6S/c1-17-25(27(34)32(30(17)2)18-9-7-6-8-10-18)31(3)39(35,36)20-12-13-22(28)21(16-20)26(33)29-23-14-11-19(37-4)15-24(23)38-5/h6-16H,1-5H3,(H,29,33)
InChIKeyWYDPPRKNYOUKDF-UHFFFAOYSA-N
XLogP4.23
TPSA111.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.06
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-chloro-N-[2-[[2-chloro-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylsulfamoyl]benzoyl]amino]phenyl]-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylsulfamoyl]benzamide
CID 4658785
2-chloro-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylsulfamoyl]-N-(2-methylsulfanylphenyl)benzamide
CID 2367826
N-tert-butyl-2-chloro-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylsulfamoyl]benzamide
CID 2080635
2-chloro-N-(cyclopropylmethyl)-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylsulfamoyl]benzamide
CID 30752508
2-chloro-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylsulfamoyl]benzamide
CID 78785930
2-chloro-N-(2,4-dimethoxyphenyl)-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
CID 2709372
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-chloro-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylsulfamoyl]benzamide
CID 4054894
[1-(3-chloroanilino)-1-oxopropan-2-yl] 2-chloro-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylsulfamoyl]benzoate
CID 23736794
2-chloro-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylsulfamoyl]-N-[[1-(2,4-dimethylphenyl)cyclopentyl]methyl]benzamide
CID 166346099
5-[benzyl(methyl)sulfamoyl]-2-chloro-N-(2,5-dimethoxyphenyl)benzamide
CID 4801481
(4-cyanophenyl)methyl 2-chloro-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylsulfamoyl]benzoate
CID 23881876
2-chloro-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylsulfamoyl]-N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]benzamide
CID 6530610

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,4-dimethoxyphenyl)-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylsulfamoyl]benzamide?
The IUPAC name of 2-chloro-N-(2,4-dimethoxyphenyl)-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylsulfamoyl]benzamide (CID 2348540) is 2-chloro-N-(2,4-dimethoxyphenyl)-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylsulfamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-(2,4-dimethoxyphenyl)-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylsulfamoyl]benzamide?
The canonical SMILES for 2-chloro-N-(2,4-dimethoxyphenyl)-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylsulfamoyl]benzamide is COc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)c3c(C)n(C)n(-c4ccccc4)c3=O)ccc2Cl)c(OC)c1.
What is the InChIKey of 2-chloro-N-(2,4-dimethoxyphenyl)-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylsulfamoyl]benzamide?
The InChIKey is WYDPPRKNYOUKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN4O6S/c1-17-25(27(34)32(30(17)2)18-9-7-6-8-10-18)31(3)39(35,36)20-12-13-22(28)21(16-20)26(33)29-23-14-11-19(37-4)15-24(23)38-5/h6-16H,1-5H3,(H,29,33).
What are the key properties of 2-chloro-N-(2,4-dimethoxyphenyl)-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylsulfamoyl]benzamide?
2-chloro-N-(2,4-dimethoxyphenyl)-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylsulfamoyl]benzamide has a molecular weight of 571.06 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,4-dimethoxyphenyl)-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylsulfamoyl]benzamide is sourced from PubChem (CID 2348540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).