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

C11H13Cl2F2N5O2S — CID 19614325

IUPACN-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-1-(difluoromethyl)-N,5-dimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)N(C)Cc2nn(C)c(Cl)c2Cl)cnn1C(F)F
InChIInChI=1S/C11H13Cl2F2N5O2S/c1-6-8(4-16-20(6)11(14)15)23(21,22)18(2)5-7-9(12)10(13)19(3)17-7/h4,11H,5H2,1-3H3
InChIKeyHEGLNEKCGWVXFI-UHFFFAOYSA-N
MW388.23 g/mol
LogP2.45
Rot. Bonds5

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

N-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-1-(difluoromethyl)-N,5-dimethylpyrazole-4-sulfonamide (PubChem CID 19614325) 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,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-1-(difluoromethyl)-N,5-dimethylpyrazole-4-sulfonamide
PubChem CID19614325
Molecular FormulaC11H13Cl2F2N5O2S
Molecular Weight388.23 g/mol
Exact Mass387.01
IUPAC NameN-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-1-(difluoromethyl)-N,5-dimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)N(C)Cc2nn(C)c(Cl)c2Cl)cnn1C(F)F
InChIInChI=1S/C11H13Cl2F2N5O2S/c1-6-8(4-16-20(6)11(14)15)23(21,22)18(2)5-7-9(12)10(13)19(3)17-7/h4,11H,5H2,1-3H3
InChIKeyHEGLNEKCGWVXFI-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,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-1-(difluoromethyl)-N,5-dimethylpyrazole-4-sulfonamide (CID 19614325) is N-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-1-(difluoromethyl)-N,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-1-(difluoromethyl)-N,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-1-(difluoromethyl)-N,5-dimethylpyrazole-4-sulfonamide is Cc1c(S(=O)(=O)N(C)Cc2nn(C)c(Cl)c2Cl)cnn1C(F)F.
What is the InChIKey of N-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-1-(difluoromethyl)-N,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is HEGLNEKCGWVXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2F2N5O2S/c1-6-8(4-16-20(6)11(14)15)23(21,22)18(2)5-7-9(12)10(13)19(3)17-7/h4,11H,5H2,1-3H3.
What are the key properties of N-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-1-(difluoromethyl)-N,5-dimethylpyrazole-4-sulfonamide?
N-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-1-(difluoromethyl)-N,5-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,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 19614325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).