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

C12H15Cl2F2N5O2S — CID 19614778

IUPACN-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-1-(difluoromethyl)-N,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C(F)F)c(C)c1S(=O)(=O)N(C)Cc1nn(C)c(Cl)c1Cl
InChIInChI=1S/C12H15Cl2F2N5O2S/c1-6-10(7(2)21(17-6)12(15)16)24(22,23)19(3)5-8-9(13)11(14)20(4)18-8/h12H,5H2,1-4H3
InChIKeyDHKSIZNUZCNSDP-UHFFFAOYSA-N
MW402.25 g/mol
LogP2.76
Rot. Bonds5

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

N-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-1-(difluoromethyl)-N,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 19614778) has the molecular formula C12H15Cl2F2N5O2S and a molecular weight of 402.25 g/mol. Its IUPAC name is N-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-1-(difluoromethyl)-N,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-1-(difluoromethyl)-N,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID19614778
Molecular FormulaC12H15Cl2F2N5O2S
Molecular Weight402.25 g/mol
Exact Mass401.03
IUPAC NameN-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-1-(difluoromethyl)-N,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C(F)F)c(C)c1S(=O)(=O)N(C)Cc1nn(C)c(Cl)c1Cl
InChIInChI=1S/C12H15Cl2F2N5O2S/c1-6-10(7(2)21(17-6)12(15)16)24(22,23)19(3)5-8-9(13)11(14)20(4)18-8/h12H,5H2,1-4H3
InChIKeyDHKSIZNUZCNSDP-UHFFFAOYSA-N
XLogP2.76
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.25
LogP ≤ 52.76
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,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-1-(difluoromethyl)-N,3,5-trimethylpyrazole-4-sulfonamide (CID 19614778) is N-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-1-(difluoromethyl)-N,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-1-(difluoromethyl)-N,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-1-(difluoromethyl)-N,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C(F)F)c(C)c1S(=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,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is DHKSIZNUZCNSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2F2N5O2S/c1-6-10(7(2)21(17-6)12(15)16)24(22,23)19(3)5-8-9(13)11(14)20(4)18-8/h12H,5H2,1-4H3.
What are the key properties of N-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-1-(difluoromethyl)-N,3,5-trimethylpyrazole-4-sulfonamide?
N-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-1-(difluoromethyl)-N,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 402.25 g/mol, XLogP of 2.76, 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,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 19614778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).