N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonamide

C18H19Cl2F2N5O2S — CID 17022683

IUPACN-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NS(=O)(=O)c1c(C)nn(C(F)F)c1C
InChIInChI=1S/C18H19Cl2F2N5O2S/c1-9-16(11(3)26(23-9)8-13-5-6-14(19)7-15(13)20)25-30(28,29)17-10(2)24-27(12(17)4)18(21)22/h5-7,18,25H,8H2,1-4H3
InChIKeyABYYNEHOWOFFQM-UHFFFAOYSA-N
MW478.35 g/mol
LogP4.86
Rot. Bonds6

About N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonamide

N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonamide (PubChem CID 17022683) has the molecular formula C18H19Cl2F2N5O2S and a molecular weight of 478.35 g/mol. Its IUPAC name is N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonamide
PubChem CID17022683
Molecular FormulaC18H19Cl2F2N5O2S
Molecular Weight478.35 g/mol
Exact Mass477.06
IUPAC NameN-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NS(=O)(=O)c1c(C)nn(C(F)F)c1C
InChIInChI=1S/C18H19Cl2F2N5O2S/c1-9-16(11(3)26(23-9)8-13-5-6-14(19)7-15(13)20)25-30(28,29)17-10(2)24-27(12(17)4)18(21)22/h5-7,18,25H,8H2,1-4H3
InChIKeyABYYNEHOWOFFQM-UHFFFAOYSA-N
XLogP4.86
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.35
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-methylpyrazole-4-sulfonamide
CID 17022873
N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-(difluoromethyl)pyrazole-3-carboxamide
CID 19268457
N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide
CID 19516484
N-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,3-dimethylpyrazole-4-sulfonamide
CID 17022898
N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 22201978
N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,4-difluorobenzenesulfonamide
CID 22202376
N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,4,6-trimethylbenzenesulfonamide
CID 22206182
1-(difluoromethyl)-N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-3,5-dimethylpyrazole-4-sulfonamide
CID 19581972
4-chloro-N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481509
4-chloro-N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267862
N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519070
1-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(2-fluorophenyl)thiourea
CID 19677783

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonamide (CID 17022683) is N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonamide is Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NS(=O)(=O)c1c(C)nn(C(F)F)c1C.
What is the InChIKey of N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is ABYYNEHOWOFFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2F2N5O2S/c1-9-16(11(3)26(23-9)8-13-5-6-14(19)7-15(13)20)25-30(28,29)17-10(2)24-27(12(17)4)18(21)22/h5-7,18,25H,8H2,1-4H3.
What are the key properties of N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonamide?
N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 478.35 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 17022683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).