5-chloro-N,1-dimethyl-N-(4-methylpentan-2-yl)imidazole-4-sulfonamide

C11H20ClN3O2S — CID 60745358

IUPAC5-chloro-N,1-dimethyl-N-(4-methylpentan-2-yl)imidazole-4-sulfonamide
SMILESCC(C)CC(C)N(C)S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C11H20ClN3O2S/c1-8(2)6-9(3)15(5)18(16,17)11-10(12)14(4)7-13-11/h7-9H,6H2,1-5H3
InChIKeyIXGUFGHAGVTYFK-UHFFFAOYSA-N
MW293.82 g/mol
LogP2.13
Rot. Bonds5

About 5-chloro-N,1-dimethyl-N-(4-methylpentan-2-yl)imidazole-4-sulfonamide

5-chloro-N,1-dimethyl-N-(4-methylpentan-2-yl)imidazole-4-sulfonamide (PubChem CID 60745358) has the molecular formula C11H20ClN3O2S and a molecular weight of 293.82 g/mol. Its IUPAC name is 5-chloro-N,1-dimethyl-N-(4-methylpentan-2-yl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N,1-dimethyl-N-(4-methylpentan-2-yl)imidazole-4-sulfonamide
PubChem CID60745358
Molecular FormulaC11H20ClN3O2S
Molecular Weight293.82 g/mol
Exact Mass293.10
IUPAC Name5-chloro-N,1-dimethyl-N-(4-methylpentan-2-yl)imidazole-4-sulfonamide
SMILESCC(C)CC(C)N(C)S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C11H20ClN3O2S/c1-8(2)6-9(3)15(5)18(16,17)11-10(12)14(4)7-13-11/h7-9H,6H2,1-5H3
InChIKeyIXGUFGHAGVTYFK-UHFFFAOYSA-N
XLogP2.13
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,1-dimethyl-N-(4-methylpentan-2-yl)imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-N,1-dimethyl-N-(4-methylpentan-2-yl)imidazole-4-sulfonamide (CID 60745358) is 5-chloro-N,1-dimethyl-N-(4-methylpentan-2-yl)imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N,1-dimethyl-N-(4-methylpentan-2-yl)imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N,1-dimethyl-N-(4-methylpentan-2-yl)imidazole-4-sulfonamide is CC(C)CC(C)N(C)S(=O)(=O)c1ncn(C)c1Cl.
What is the InChIKey of 5-chloro-N,1-dimethyl-N-(4-methylpentan-2-yl)imidazole-4-sulfonamide?
The InChIKey is IXGUFGHAGVTYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN3O2S/c1-8(2)6-9(3)15(5)18(16,17)11-10(12)14(4)7-13-11/h7-9H,6H2,1-5H3.
What are the key properties of 5-chloro-N,1-dimethyl-N-(4-methylpentan-2-yl)imidazole-4-sulfonamide?
5-chloro-N,1-dimethyl-N-(4-methylpentan-2-yl)imidazole-4-sulfonamide has a molecular weight of 293.82 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,1-dimethyl-N-(4-methylpentan-2-yl)imidazole-4-sulfonamide is sourced from PubChem (CID 60745358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).