2-[5-amino-4-(benzenesulfonyl)-3-(4-methylanilino)pyrazol-1-yl]-N-(2-chloro-4-methylphenyl)acetamide

C25H24ClN5O3S — CID 91623371

IUPAC2-[5-amino-4-(benzenesulfonyl)-3-(4-methylanilino)pyrazol-1-yl]-N-(2-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(Nc2nn(CC(=O)Nc3ccc(C)cc3Cl)c(N)c2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H24ClN5O3S/c1-16-8-11-18(12-9-16)28-25-23(35(33,34)19-6-4-3-5-7-19)24(27)31(30-25)15-22(32)29-21-13-10-17(2)14-20(21)26/h3-14H,15,27H2,1-2H3,(H,28,30)(H,29,32)
InChIKeyGSYPXZLHSXXPID-UHFFFAOYSA-N
MW510.02 g/mol
LogP4.95
Rot. Bonds7

About 2-[5-amino-4-(benzenesulfonyl)-3-(4-methylanilino)pyrazol-1-yl]-N-(2-chloro-4-methylphenyl)acetamide

2-[5-amino-4-(benzenesulfonyl)-3-(4-methylanilino)pyrazol-1-yl]-N-(2-chloro-4-methylphenyl)acetamide (PubChem CID 91623371) has the molecular formula C25H24ClN5O3S and a molecular weight of 510.02 g/mol. Its IUPAC name is 2-[5-amino-4-(benzenesulfonyl)-3-(4-methylanilino)pyrazol-1-yl]-N-(2-chloro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-amino-4-(benzenesulfonyl)-3-(4-methylanilino)pyrazol-1-yl]-N-(2-chloro-4-methylphenyl)acetamide
PubChem CID91623371
Molecular FormulaC25H24ClN5O3S
Molecular Weight510.02 g/mol
Exact Mass509.13
IUPAC Name2-[5-amino-4-(benzenesulfonyl)-3-(4-methylanilino)pyrazol-1-yl]-N-(2-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(Nc2nn(CC(=O)Nc3ccc(C)cc3Cl)c(N)c2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H24ClN5O3S/c1-16-8-11-18(12-9-16)28-25-23(35(33,34)19-6-4-3-5-7-19)24(27)31(30-25)15-22(32)29-21-13-10-17(2)14-20(21)26/h3-14H,15,27H2,1-2H3,(H,28,30)(H,29,32)
InChIKeyGSYPXZLHSXXPID-UHFFFAOYSA-N
XLogP4.95
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.02
LogP ≤ 54.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-amino-4-(4-methylphenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]-N-(2-chlorophenyl)acetamide
CID 50790506
2-[5-amino-4-(benzenesulfonyl)-3-(3-fluoroanilino)pyrazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 42585346
2-[5-amino-4-(benzenesulfonyl)-3-ethylsulfanylpyrazol-1-yl]-N-(4-methylphenyl)acetamide
CID 50790450
2-[5-amino-4-(benzenesulfonyl)triazol-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 20865644
2-[5-amino-3-ethylsulfanyl-4-(4-methylphenyl)sulfonylpyrazol-1-yl]-N-(4-methylphenyl)acetamide
CID 18591622
3-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 2521587
2-[5-amino-4-(4-methylphenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 50790440
ethyl 2-[[2-[5-amino-4-(benzenesulfonyl)-3-methylsulfanylpyrazol-1-yl]acetyl]amino]benzoate
CID 50790380
N-(2-chlorophenyl)-2-[7-(4-methylanilino)-3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl]acetamide
CID 53201500
N-(2-chloro-4-methylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 8688693
2-[5-amino-4-(4-chlorophenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 50790606
N-(2-chloro-4-methylphenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392747

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-4-(benzenesulfonyl)-3-(4-methylanilino)pyrazol-1-yl]-N-(2-chloro-4-methylphenyl)acetamide?
The IUPAC name of 2-[5-amino-4-(benzenesulfonyl)-3-(4-methylanilino)pyrazol-1-yl]-N-(2-chloro-4-methylphenyl)acetamide (CID 91623371) is 2-[5-amino-4-(benzenesulfonyl)-3-(4-methylanilino)pyrazol-1-yl]-N-(2-chloro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[5-amino-4-(benzenesulfonyl)-3-(4-methylanilino)pyrazol-1-yl]-N-(2-chloro-4-methylphenyl)acetamide?
The canonical SMILES for 2-[5-amino-4-(benzenesulfonyl)-3-(4-methylanilino)pyrazol-1-yl]-N-(2-chloro-4-methylphenyl)acetamide is Cc1ccc(Nc2nn(CC(=O)Nc3ccc(C)cc3Cl)c(N)c2S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[5-amino-4-(benzenesulfonyl)-3-(4-methylanilino)pyrazol-1-yl]-N-(2-chloro-4-methylphenyl)acetamide?
The InChIKey is GSYPXZLHSXXPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN5O3S/c1-16-8-11-18(12-9-16)28-25-23(35(33,34)19-6-4-3-5-7-19)24(27)31(30-25)15-22(32)29-21-13-10-17(2)14-20(21)26/h3-14H,15,27H2,1-2H3,(H,28,30)(H,29,32).
What are the key properties of 2-[5-amino-4-(benzenesulfonyl)-3-(4-methylanilino)pyrazol-1-yl]-N-(2-chloro-4-methylphenyl)acetamide?
2-[5-amino-4-(benzenesulfonyl)-3-(4-methylanilino)pyrazol-1-yl]-N-(2-chloro-4-methylphenyl)acetamide has a molecular weight of 510.02 g/mol, XLogP of 4.95, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-4-(benzenesulfonyl)-3-(4-methylanilino)pyrazol-1-yl]-N-(2-chloro-4-methylphenyl)acetamide is sourced from PubChem (CID 91623371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).