3-chloro-1-methyl-N-pyrimidin-2-yl-5-(trifluoromethyl)pyrazole-4-sulfonamide

C9H7ClF3N5O2S — CID 57295077

IUPAC3-chloro-1-methyl-N-pyrimidin-2-yl-5-(trifluoromethyl)pyrazole-4-sulfonamide
SMILESCn1nc(Cl)c(S(=O)(=O)Nc2ncccn2)c1C(F)(F)F
InChIInChI=1S/C9H7ClF3N5O2S/c1-18-6(9(11,12)13)5(7(10)16-18)21(19,20)17-8-14-3-2-4-15-8/h2-4H,1H3,(H,14,15,17)
InChIKeyZMCDSQUHMMAYCH-UHFFFAOYSA-N
MW341.70 g/mol
LogP1.68
Rot. Bonds3

About 3-chloro-1-methyl-N-pyrimidin-2-yl-5-(trifluoromethyl)pyrazole-4-sulfonamide

3-chloro-1-methyl-N-pyrimidin-2-yl-5-(trifluoromethyl)pyrazole-4-sulfonamide (PubChem CID 57295077) has the molecular formula C9H7ClF3N5O2S and a molecular weight of 341.70 g/mol. Its IUPAC name is 3-chloro-1-methyl-N-pyrimidin-2-yl-5-(trifluoromethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-chloro-1-methyl-N-pyrimidin-2-yl-5-(trifluoromethyl)pyrazole-4-sulfonamide
PubChem CID57295077
Molecular FormulaC9H7ClF3N5O2S
Molecular Weight341.70 g/mol
Exact Mass341.00
IUPAC Name3-chloro-1-methyl-N-pyrimidin-2-yl-5-(trifluoromethyl)pyrazole-4-sulfonamide
SMILESCn1nc(Cl)c(S(=O)(=O)Nc2ncccn2)c1C(F)(F)F
InChIInChI=1S/C9H7ClF3N5O2S/c1-18-6(9(11,12)13)5(7(10)16-18)21(19,20)17-8-14-3-2-4-15-8/h2-4H,1H3,(H,14,15,17)
InChIKeyZMCDSQUHMMAYCH-UHFFFAOYSA-N
XLogP1.68
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.70
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-methyl-N-pyrimidin-2-yl-5-(trifluoromethyl)pyrazole-4-sulfonamide?
The IUPAC name of 3-chloro-1-methyl-N-pyrimidin-2-yl-5-(trifluoromethyl)pyrazole-4-sulfonamide (CID 57295077) is 3-chloro-1-methyl-N-pyrimidin-2-yl-5-(trifluoromethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-chloro-1-methyl-N-pyrimidin-2-yl-5-(trifluoromethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-chloro-1-methyl-N-pyrimidin-2-yl-5-(trifluoromethyl)pyrazole-4-sulfonamide is Cn1nc(Cl)c(S(=O)(=O)Nc2ncccn2)c1C(F)(F)F.
What is the InChIKey of 3-chloro-1-methyl-N-pyrimidin-2-yl-5-(trifluoromethyl)pyrazole-4-sulfonamide?
The InChIKey is ZMCDSQUHMMAYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3N5O2S/c1-18-6(9(11,12)13)5(7(10)16-18)21(19,20)17-8-14-3-2-4-15-8/h2-4H,1H3,(H,14,15,17).
What are the key properties of 3-chloro-1-methyl-N-pyrimidin-2-yl-5-(trifluoromethyl)pyrazole-4-sulfonamide?
3-chloro-1-methyl-N-pyrimidin-2-yl-5-(trifluoromethyl)pyrazole-4-sulfonamide has a molecular weight of 341.70 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-methyl-N-pyrimidin-2-yl-5-(trifluoromethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 57295077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).