5-chloro-1-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazole-4-sulfonamide

C12H22ClN3O2S — CID 60746011

IUPAC5-chloro-1-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC(C)(C)CC(C)(C)C)c1Cl
InChIInChI=1S/C12H22ClN3O2S/c1-11(2,3)7-12(4,5)15-19(17,18)10-9(13)16(6)8-14-10/h8,15H,7H2,1-6H3
InChIKeyCLMIXAGPAWMPPN-UHFFFAOYSA-N
MW307.85 g/mol
LogP2.57
Rot. Bonds4

About 5-chloro-1-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazole-4-sulfonamide

5-chloro-1-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazole-4-sulfonamide (PubChem CID 60746011) has the molecular formula C12H22ClN3O2S and a molecular weight of 307.85 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazole-4-sulfonamide
PubChem CID60746011
Molecular FormulaC12H22ClN3O2S
Molecular Weight307.85 g/mol
Exact Mass307.11
IUPAC Name5-chloro-1-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC(C)(C)CC(C)(C)C)c1Cl
InChIInChI=1S/C12H22ClN3O2S/c1-11(2,3)7-12(4,5)15-19(17,18)10-9(13)16(6)8-14-10/h8,15H,7H2,1-6H3
InChIKeyCLMIXAGPAWMPPN-UHFFFAOYSA-N
XLogP2.57
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.85
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-1-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazole-4-sulfonamide (CID 60746011) is 5-chloro-1-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NC(C)(C)CC(C)(C)C)c1Cl.
What is the InChIKey of 5-chloro-1-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazole-4-sulfonamide?
The InChIKey is CLMIXAGPAWMPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClN3O2S/c1-11(2,3)7-12(4,5)15-19(17,18)10-9(13)16(6)8-14-10/h8,15H,7H2,1-6H3.
What are the key properties of 5-chloro-1-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazole-4-sulfonamide?
5-chloro-1-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazole-4-sulfonamide has a molecular weight of 307.85 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazole-4-sulfonamide is sourced from PubChem (CID 60746011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).