2-chloro-3-methyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazole-4-sulfonamide

C9H9ClF3N5O2S — CID 138018671

IUPAC2-chloro-3-methyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazole-4-sulfonamide
SMILESCn1nc(NS(=O)(=O)c2cnc(Cl)n2C)cc1C(F)(F)F
InChIInChI=1S/C9H9ClF3N5O2S/c1-17-7(4-14-8(17)10)21(19,20)16-6-3-5(9(11,12)13)18(2)15-6/h3-4H,1-2H3,(H,15,16)
InChIKeyFMEAJXWTLOFVHR-UHFFFAOYSA-N
MW343.72 g/mol
LogP1.63
Rot. Bonds3

About 2-chloro-3-methyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazole-4-sulfonamide

2-chloro-3-methyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazole-4-sulfonamide (PubChem CID 138018671) has the molecular formula C9H9ClF3N5O2S and a molecular weight of 343.72 g/mol. Its IUPAC name is 2-chloro-3-methyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-3-methyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazole-4-sulfonamide
PubChem CID138018671
Molecular FormulaC9H9ClF3N5O2S
Molecular Weight343.72 g/mol
Exact Mass343.01
IUPAC Name2-chloro-3-methyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazole-4-sulfonamide
SMILESCn1nc(NS(=O)(=O)c2cnc(Cl)n2C)cc1C(F)(F)F
InChIInChI=1S/C9H9ClF3N5O2S/c1-17-7(4-14-8(17)10)21(19,20)16-6-3-5(9(11,12)13)18(2)15-6/h3-4H,1-2H3,(H,15,16)
InChIKeyFMEAJXWTLOFVHR-UHFFFAOYSA-N
XLogP1.63
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.72
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazole-4-sulfonamide?
The IUPAC name of 2-chloro-3-methyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazole-4-sulfonamide (CID 138018671) is 2-chloro-3-methyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazole-4-sulfonamide.
What is the SMILES notation for 2-chloro-3-methyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazole-4-sulfonamide?
The canonical SMILES for 2-chloro-3-methyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazole-4-sulfonamide is Cn1nc(NS(=O)(=O)c2cnc(Cl)n2C)cc1C(F)(F)F.
What is the InChIKey of 2-chloro-3-methyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazole-4-sulfonamide?
The InChIKey is FMEAJXWTLOFVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3N5O2S/c1-17-7(4-14-8(17)10)21(19,20)16-6-3-5(9(11,12)13)18(2)15-6/h3-4H,1-2H3,(H,15,16).
What are the key properties of 2-chloro-3-methyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazole-4-sulfonamide?
2-chloro-3-methyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazole-4-sulfonamide has a molecular weight of 343.72 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazole-4-sulfonamide is sourced from PubChem (CID 138018671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).