5-chloro-1-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]imidazole-4-sulfonamide

C12H19ClN4O3S — CID 51115062

IUPAC5-chloro-1-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCCN2CCCCCC2=O)c1Cl
InChIInChI=1S/C12H19ClN4O3S/c1-16-9-14-12(11(16)13)21(19,20)15-6-8-17-7-4-2-3-5-10(17)18/h9,15H,2-8H2,1H3
InChIKeyNGXHCOKAERDCHL-UHFFFAOYSA-N
MW334.83 g/mol
LogP0.75
Rot. Bonds5

About 5-chloro-1-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]imidazole-4-sulfonamide

5-chloro-1-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]imidazole-4-sulfonamide (PubChem CID 51115062) has the molecular formula C12H19ClN4O3S and a molecular weight of 334.83 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]imidazole-4-sulfonamide
PubChem CID51115062
Molecular FormulaC12H19ClN4O3S
Molecular Weight334.83 g/mol
Exact Mass334.09
IUPAC Name5-chloro-1-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCCN2CCCCCC2=O)c1Cl
InChIInChI=1S/C12H19ClN4O3S/c1-16-9-14-12(11(16)13)21(19,20)15-6-8-17-7-4-2-3-5-10(17)18/h9,15H,2-8H2,1H3
InChIKeyNGXHCOKAERDCHL-UHFFFAOYSA-N
XLogP0.75
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-1-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]imidazole-4-sulfonamide (CID 51115062) is 5-chloro-1-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCCN2CCCCCC2=O)c1Cl.
What is the InChIKey of 5-chloro-1-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]imidazole-4-sulfonamide?
The InChIKey is NGXHCOKAERDCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O3S/c1-16-9-14-12(11(16)13)21(19,20)15-6-8-17-7-4-2-3-5-10(17)18/h9,15H,2-8H2,1H3.
What are the key properties of 5-chloro-1-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]imidazole-4-sulfonamide?
5-chloro-1-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]imidazole-4-sulfonamide has a molecular weight of 334.83 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]imidazole-4-sulfonamide is sourced from PubChem (CID 51115062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).