N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-1-methyl-2,4-dioxopyrimidine-5-sulfonamide

C10H11F2N5O4S — CID 167939357

IUPACN-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-1-methyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCn1cc(NS(=O)(=O)c2cn(C)c(=O)[nH]c2=O)c(C(F)F)n1
InChIInChI=1S/C10H11F2N5O4S/c1-16-4-6(9(18)13-10(16)19)22(20,21)15-5-3-17(2)14-7(5)8(11)12/h3-4,8,15H,1-2H3,(H,13,18,19)
InChIKeyZTKIAOSCBMIUNW-UHFFFAOYSA-N
MW335.29 g/mol
LogP-0.45
Rot. Bonds4

About N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-1-methyl-2,4-dioxopyrimidine-5-sulfonamide

N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-1-methyl-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 167939357) has the molecular formula C10H11F2N5O4S and a molecular weight of 335.29 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-1-methyl-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-1-methyl-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID167939357
Molecular FormulaC10H11F2N5O4S
Molecular Weight335.29 g/mol
Exact Mass335.05
IUPAC NameN-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-1-methyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCn1cc(NS(=O)(=O)c2cn(C)c(=O)[nH]c2=O)c(C(F)F)n1
InChIInChI=1S/C10H11F2N5O4S/c1-16-4-6(9(18)13-10(16)19)22(20,21)15-5-3-17(2)14-7(5)8(11)12/h3-4,8,15H,1-2H3,(H,13,18,19)
InChIKeyZTKIAOSCBMIUNW-UHFFFAOYSA-N
XLogP-0.45
TPSA118.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-1-methyl-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-1-methyl-2,4-dioxopyrimidine-5-sulfonamide (CID 167939357) is N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-1-methyl-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-1-methyl-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-1-methyl-2,4-dioxopyrimidine-5-sulfonamide is Cn1cc(NS(=O)(=O)c2cn(C)c(=O)[nH]c2=O)c(C(F)F)n1.
What is the InChIKey of N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-1-methyl-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is ZTKIAOSCBMIUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N5O4S/c1-16-4-6(9(18)13-10(16)19)22(20,21)15-5-3-17(2)14-7(5)8(11)12/h3-4,8,15H,1-2H3,(H,13,18,19).
What are the key properties of N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-1-methyl-2,4-dioxopyrimidine-5-sulfonamide?
N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-1-methyl-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 335.29 g/mol, XLogP of -0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-1-methyl-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 167939357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).