N-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-1-(difluoromethyl)-N,3-dimethylpyrazole-4-sulfonamide

C11H13Cl2F2N5O2S — CID 19614802

IUPACN-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-1-(difluoromethyl)-N,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C(F)F)cc1S(=O)(=O)N(C)Cc1nn(C)c(Cl)c1Cl
InChIInChI=1S/C11H13Cl2F2N5O2S/c1-6-8(5-20(16-6)11(14)15)23(21,22)18(2)4-7-9(12)10(13)19(3)17-7/h5,11H,4H2,1-3H3
InChIKeyNWPCNUHXJTZASI-UHFFFAOYSA-N
MW388.23 g/mol
LogP2.45
Rot. Bonds5

About N-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-1-(difluoromethyl)-N,3-dimethylpyrazole-4-sulfonamide

N-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-1-(difluoromethyl)-N,3-dimethylpyrazole-4-sulfonamide (PubChem CID 19614802) has the molecular formula C11H13Cl2F2N5O2S and a molecular weight of 388.23 g/mol. Its IUPAC name is N-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-1-(difluoromethyl)-N,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-1-(difluoromethyl)-N,3-dimethylpyrazole-4-sulfonamide
PubChem CID19614802
Molecular FormulaC11H13Cl2F2N5O2S
Molecular Weight388.23 g/mol
Exact Mass387.01
IUPAC NameN-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-1-(difluoromethyl)-N,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C(F)F)cc1S(=O)(=O)N(C)Cc1nn(C)c(Cl)c1Cl
InChIInChI=1S/C11H13Cl2F2N5O2S/c1-6-8(5-20(16-6)11(14)15)23(21,22)18(2)4-7-9(12)10(13)19(3)17-7/h5,11H,4H2,1-3H3
InChIKeyNWPCNUHXJTZASI-UHFFFAOYSA-N
XLogP2.45
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.23
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-1-(difluoromethyl)-N,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-1-(difluoromethyl)-N,3-dimethylpyrazole-4-sulfonamide (CID 19614802) is N-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-1-(difluoromethyl)-N,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-1-(difluoromethyl)-N,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-1-(difluoromethyl)-N,3-dimethylpyrazole-4-sulfonamide is Cc1nn(C(F)F)cc1S(=O)(=O)N(C)Cc1nn(C)c(Cl)c1Cl.
What is the InChIKey of N-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-1-(difluoromethyl)-N,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is NWPCNUHXJTZASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2F2N5O2S/c1-6-8(5-20(16-6)11(14)15)23(21,22)18(2)4-7-9(12)10(13)19(3)17-7/h5,11H,4H2,1-3H3.
What are the key properties of N-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-1-(difluoromethyl)-N,3-dimethylpyrazole-4-sulfonamide?
N-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-1-(difluoromethyl)-N,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 388.23 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-1-(difluoromethyl)-N,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 19614802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).