5-chloro-1-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide

C11H17ClF3N3O2S — CID 61046693

IUPAC5-chloro-1-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
SMILESCCC(CC)N(CC(F)(F)F)S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C11H17ClF3N3O2S/c1-4-8(5-2)18(6-11(13,14)15)21(19,20)10-9(12)17(3)7-16-10/h7-8H,4-6H2,1-3H3
InChIKeyHSHSZPIEPYJCCF-UHFFFAOYSA-N
MW347.79 g/mol
LogP2.82
Rot. Bonds6

About 5-chloro-1-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide

5-chloro-1-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide (PubChem CID 61046693) has the molecular formula C11H17ClF3N3O2S and a molecular weight of 347.79 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
PubChem CID61046693
Molecular FormulaC11H17ClF3N3O2S
Molecular Weight347.79 g/mol
Exact Mass347.07
IUPAC Name5-chloro-1-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
SMILESCCC(CC)N(CC(F)(F)F)S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C11H17ClF3N3O2S/c1-4-8(5-2)18(6-11(13,14)15)21(19,20)10-9(12)17(3)7-16-10/h7-8H,4-6H2,1-3H3
InChIKeyHSHSZPIEPYJCCF-UHFFFAOYSA-N
XLogP2.82
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.79
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-1-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide (CID 61046693) is 5-chloro-1-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide is CCC(CC)N(CC(F)(F)F)S(=O)(=O)c1ncn(C)c1Cl.
What is the InChIKey of 5-chloro-1-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The InChIKey is HSHSZPIEPYJCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClF3N3O2S/c1-4-8(5-2)18(6-11(13,14)15)21(19,20)10-9(12)17(3)7-16-10/h7-8H,4-6H2,1-3H3.
What are the key properties of 5-chloro-1-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
5-chloro-1-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide has a molecular weight of 347.79 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide is sourced from PubChem (CID 61046693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).