N-[[1-(2,4-dichlorophenyl)cyclohexyl]methyl]-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-2-methylbenzamide

C32H34Cl2N4O4S — CID 166352284

IUPACN-[[1-(2,4-dichlorophenyl)cyclohexyl]methyl]-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1C(=O)NCC1(c2ccc(Cl)cc2Cl)CCCCC1
InChIInChI=1S/C32H34Cl2N4O4S/c1-21-12-14-25(43(41,42)36-29-22(2)37(3)38(31(29)40)24-10-6-4-7-11-24)19-26(21)30(39)35-20-32(16-8-5-9-17-32)27-15-13-23(33)18-28(27)34/h4,6-7,10-15,18-19,36H,5,8-9,16-17,20H2,1-3H3,(H,35,39)
InChIKeyZDTRDYMUOHUJQE-UHFFFAOYSA-N
MW641.62 g/mol
LogP6.53
Rot. Bonds8

About N-[[1-(2,4-dichlorophenyl)cyclohexyl]methyl]-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-2-methylbenzamide

N-[[1-(2,4-dichlorophenyl)cyclohexyl]methyl]-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-2-methylbenzamide (PubChem CID 166352284) has the molecular formula C32H34Cl2N4O4S and a molecular weight of 641.62 g/mol. Its IUPAC name is N-[[1-(2,4-dichlorophenyl)cyclohexyl]methyl]-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[[1-(2,4-dichlorophenyl)cyclohexyl]methyl]-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-2-methylbenzamide
PubChem CID166352284
Molecular FormulaC32H34Cl2N4O4S
Molecular Weight641.62 g/mol
Exact Mass640.17
IUPAC NameN-[[1-(2,4-dichlorophenyl)cyclohexyl]methyl]-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1C(=O)NCC1(c2ccc(Cl)cc2Cl)CCCCC1
InChIInChI=1S/C32H34Cl2N4O4S/c1-21-12-14-25(43(41,42)36-29-22(2)37(3)38(31(29)40)24-10-6-4-7-11-24)19-26(21)30(39)35-20-32(16-8-5-9-17-32)27-15-13-23(33)18-28(27)34/h4,6-7,10-15,18-19,36H,5,8-9,16-17,20H2,1-3H3,(H,35,39)
InChIKeyZDTRDYMUOHUJQE-UHFFFAOYSA-N
XLogP6.53
TPSA102.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.62
LogP ≤ 56.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-2-methylbenzamide
CID 27537577
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N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-fluoro-3-methylbenzenesulfonamide
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2-carboxy-4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]phenolate
CID 54703910
N-(2-chlorophenyl)-4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]benzamide
CID 26574997
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide
CID 20858668
(4-nitrophenyl)methyl 5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-2-methylbenzoate
CID 25036861
[2-(2,4-dichlorophenyl)-2-oxoethyl] 3-chloro-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]benzoate
CID 25046024
4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-phenylbenzamide
CID 24643280
4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methoxybenzenesulfonamide
CID 163349923
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-9,10-dioxoanthracene-2-sulfonamide
CID 3636957
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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,4-dichlorophenyl)cyclohexyl]methyl]-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-2-methylbenzamide?
The IUPAC name of N-[[1-(2,4-dichlorophenyl)cyclohexyl]methyl]-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-2-methylbenzamide (CID 166352284) is N-[[1-(2,4-dichlorophenyl)cyclohexyl]methyl]-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-2-methylbenzamide.
What is the SMILES notation for N-[[1-(2,4-dichlorophenyl)cyclohexyl]methyl]-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-2-methylbenzamide?
The canonical SMILES for N-[[1-(2,4-dichlorophenyl)cyclohexyl]methyl]-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-2-methylbenzamide is Cc1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1C(=O)NCC1(c2ccc(Cl)cc2Cl)CCCCC1.
What is the InChIKey of N-[[1-(2,4-dichlorophenyl)cyclohexyl]methyl]-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-2-methylbenzamide?
The InChIKey is ZDTRDYMUOHUJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34Cl2N4O4S/c1-21-12-14-25(43(41,42)36-29-22(2)37(3)38(31(29)40)24-10-6-4-7-11-24)19-26(21)30(39)35-20-32(16-8-5-9-17-32)27-15-13-23(33)18-28(27)34/h4,6-7,10-15,18-19,36H,5,8-9,16-17,20H2,1-3H3,(H,35,39).
What are the key properties of N-[[1-(2,4-dichlorophenyl)cyclohexyl]methyl]-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-2-methylbenzamide?
N-[[1-(2,4-dichlorophenyl)cyclohexyl]methyl]-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-2-methylbenzamide has a molecular weight of 641.62 g/mol, XLogP of 6.53, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,4-dichlorophenyl)cyclohexyl]methyl]-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-2-methylbenzamide is sourced from PubChem (CID 166352284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).