N-(2-hydroxyethyl)-N,1-dimethylimidazole-4-sulfonamide

C7H13N3O3S — CID 62374965

IUPACN-(2-hydroxyethyl)-N,1-dimethylimidazole-4-sulfonamide
SMILESCN(CCO)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C7H13N3O3S/c1-9-5-7(8-6-9)14(12,13)10(2)3-4-11/h5-6,11H,3-4H2,1-2H3
InChIKeyCRDVPJSRIJBCBR-UHFFFAOYSA-N
MW219.27 g/mol
LogP-0.97
Rot. Bonds4

About N-(2-hydroxyethyl)-N,1-dimethylimidazole-4-sulfonamide

N-(2-hydroxyethyl)-N,1-dimethylimidazole-4-sulfonamide (PubChem CID 62374965) has the molecular formula C7H13N3O3S and a molecular weight of 219.27 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N,1-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N,1-dimethylimidazole-4-sulfonamide
PubChem CID62374965
Molecular FormulaC7H13N3O3S
Molecular Weight219.27 g/mol
Exact Mass219.07
IUPAC NameN-(2-hydroxyethyl)-N,1-dimethylimidazole-4-sulfonamide
SMILESCN(CCO)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C7H13N3O3S/c1-9-5-7(8-6-9)14(12,13)10(2)3-4-11/h5-6,11H,3-4H2,1-2H3
InChIKeyCRDVPJSRIJBCBR-UHFFFAOYSA-N
XLogP-0.97
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 5-0.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N,1-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-N,1-dimethylimidazole-4-sulfonamide (CID 62374965) is N-(2-hydroxyethyl)-N,1-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N,1-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-N,1-dimethylimidazole-4-sulfonamide is CN(CCO)S(=O)(=O)c1cn(C)cn1.
What is the InChIKey of N-(2-hydroxyethyl)-N,1-dimethylimidazole-4-sulfonamide?
The InChIKey is CRDVPJSRIJBCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O3S/c1-9-5-7(8-6-9)14(12,13)10(2)3-4-11/h5-6,11H,3-4H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-N,1-dimethylimidazole-4-sulfonamide?
N-(2-hydroxyethyl)-N,1-dimethylimidazole-4-sulfonamide has a molecular weight of 219.27 g/mol, XLogP of -0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N,1-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 62374965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).