N-(2-chloro-3-methoxypropyl)-N,1-dimethylimidazole-4-sulfonamide

C9H16ClN3O3S — CID 55185755

IUPACN-(2-chloro-3-methoxypropyl)-N,1-dimethylimidazole-4-sulfonamide
SMILESCOCC(Cl)CN(C)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C9H16ClN3O3S/c1-12-5-9(11-7-12)17(14,15)13(2)4-8(10)6-16-3/h5,7-8H,4,6H2,1-3H3
InChIKeyVIQGPBISFVGCCF-UHFFFAOYSA-N
MW281.77 g/mol
LogP0.29
Rot. Bonds6

About N-(2-chloro-3-methoxypropyl)-N,1-dimethylimidazole-4-sulfonamide

N-(2-chloro-3-methoxypropyl)-N,1-dimethylimidazole-4-sulfonamide (PubChem CID 55185755) has the molecular formula C9H16ClN3O3S and a molecular weight of 281.77 g/mol. Its IUPAC name is N-(2-chloro-3-methoxypropyl)-N,1-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-3-methoxypropyl)-N,1-dimethylimidazole-4-sulfonamide
PubChem CID55185755
Molecular FormulaC9H16ClN3O3S
Molecular Weight281.77 g/mol
Exact Mass281.06
IUPAC NameN-(2-chloro-3-methoxypropyl)-N,1-dimethylimidazole-4-sulfonamide
SMILESCOCC(Cl)CN(C)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C9H16ClN3O3S/c1-12-5-9(11-7-12)17(14,15)13(2)4-8(10)6-16-3/h5,7-8H,4,6H2,1-3H3
InChIKeyVIQGPBISFVGCCF-UHFFFAOYSA-N
XLogP0.29
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.77
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-3-methoxypropyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide
CID 63400494
N-(2-hydroxyethyl)-N,1-dimethylimidazole-4-sulfonamide
CID 62374965
1-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylimidazole-4-sulfonamide
CID 79373739
5-bromo-N-(2-chloro-3-methoxypropyl)-N,3-dimethyltriazole-4-sulfonamide
CID 106468358
N-(2-chloro-3-methoxypropyl)-N-methylmethanesulfonamide
CID 63400618
methyl 3-[ethyl-(1-methylimidazol-4-yl)sulfonylamino]propanoate
CID 62373306
N-(2-chloropropyl)-N,1,2-trimethylimidazole-4-sulfonamide
CID 63397074
N,1-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)imidazole-4-sulfonamide
CID 62373281
N-(2-chloro-3-methoxypropyl)-N-methyl-2-pyridin-4-ylethanesulfonamide
CID 63400752
3-[methyl-(1-methylimidazol-4-yl)sulfonylamino]butanethioamide
CID 63223329
N-(2-chloro-3-methoxypropyl)-5-methoxy-N-methylpyridin-2-amine
CID 106505054
N-(2-hydroxy-3-methoxypropyl)-N,1-dimethylpyrrole-3-sulfonamide
CID 54999137

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-methoxypropyl)-N,1-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-(2-chloro-3-methoxypropyl)-N,1-dimethylimidazole-4-sulfonamide (CID 55185755) is N-(2-chloro-3-methoxypropyl)-N,1-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-(2-chloro-3-methoxypropyl)-N,1-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-(2-chloro-3-methoxypropyl)-N,1-dimethylimidazole-4-sulfonamide is COCC(Cl)CN(C)S(=O)(=O)c1cn(C)cn1.
What is the InChIKey of N-(2-chloro-3-methoxypropyl)-N,1-dimethylimidazole-4-sulfonamide?
The InChIKey is VIQGPBISFVGCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN3O3S/c1-12-5-9(11-7-12)17(14,15)13(2)4-8(10)6-16-3/h5,7-8H,4,6H2,1-3H3.
What are the key properties of N-(2-chloro-3-methoxypropyl)-N,1-dimethylimidazole-4-sulfonamide?
N-(2-chloro-3-methoxypropyl)-N,1-dimethylimidazole-4-sulfonamide has a molecular weight of 281.77 g/mol, XLogP of 0.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-methoxypropyl)-N,1-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 55185755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).