N-[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide

C21H18Cl2FN5O2S — CID 22207026

IUPACN-[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
SMILESCc1nn(-c2ccccc2)c(C)c1S(=O)(=O)Nc1nn(Cc2c(F)cccc2Cl)cc1Cl
InChIInChI=1S/C21H18Cl2FN5O2S/c1-13-20(14(2)29(25-13)15-7-4-3-5-8-15)32(30,31)27-21-18(23)12-28(26-21)11-16-17(22)9-6-10-19(16)24/h3-10,12H,11H2,1-2H3,(H,26,27)
InChIKeyTXUCDMOQRVAAAH-UHFFFAOYSA-N
MW494.38 g/mol
LogP4.98
Rot. Bonds6

About N-[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide

N-[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide (PubChem CID 22207026) has the molecular formula C21H18Cl2FN5O2S and a molecular weight of 494.38 g/mol. Its IUPAC name is N-[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
PubChem CID22207026
Molecular FormulaC21H18Cl2FN5O2S
Molecular Weight494.38 g/mol
Exact Mass493.05
IUPAC NameN-[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
SMILESCc1nn(-c2ccccc2)c(C)c1S(=O)(=O)Nc1nn(Cc2c(F)cccc2Cl)cc1Cl
InChIInChI=1S/C21H18Cl2FN5O2S/c1-13-20(14(2)29(25-13)15-7-4-3-5-8-15)32(30,31)27-21-18(23)12-28(26-21)11-16-17(22)9-6-10-19(16)24/h3-10,12H,11H2,1-2H3,(H,26,27)
InChIKeyTXUCDMOQRVAAAH-UHFFFAOYSA-N
XLogP4.98
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.38
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethyl-1-phenyl-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]pyrazole-4-sulfonamide
CID 22205620
N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22206103
N-[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-2-phenylacetamide
CID 19396536
N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22771888
N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazole-4-sulfonamide
CID 17022876
4-chloro-N-[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazole-5-carboxamide
CID 19477019
N-(3,4-dichlorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773571
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22207109
N-(4-fluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773337
2,6-dichloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 9191229
N-(3-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 53076151
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22202650

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide?
The IUPAC name of N-[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide (CID 22207026) is N-[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide?
The canonical SMILES for N-[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide is Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)Nc1nn(Cc2c(F)cccc2Cl)cc1Cl.
What is the InChIKey of N-[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide?
The InChIKey is TXUCDMOQRVAAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2FN5O2S/c1-13-20(14(2)29(25-13)15-7-4-3-5-8-15)32(30,31)27-21-18(23)12-28(26-21)11-16-17(22)9-6-10-19(16)24/h3-10,12H,11H2,1-2H3,(H,26,27).
What are the key properties of N-[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide?
N-[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide has a molecular weight of 494.38 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 22207026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).