4-(3,4-dihydro-2H-chromen-4-yl)-N,N-dimethylimidazole-1-sulfonamide

C14H17N3O3S — CID 57243248

IUPAC4-(3,4-dihydro-2H-chromen-4-yl)-N,N-dimethylimidazole-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1cnc(C2CCOc3ccccc32)c1
InChIInChI=1S/C14H17N3O3S/c1-16(2)21(18,19)17-9-13(15-10-17)11-7-8-20-14-6-4-3-5-12(11)14/h3-6,9-11H,7-8H2,1-2H3
InChIKeyMLJBHRUCKZLXTG-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.45
Rot. Bonds3

About 4-(3,4-dihydro-2H-chromen-4-yl)-N,N-dimethylimidazole-1-sulfonamide

4-(3,4-dihydro-2H-chromen-4-yl)-N,N-dimethylimidazole-1-sulfonamide (PubChem CID 57243248) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-chromen-4-yl)-N,N-dimethylimidazole-1-sulfonamide.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-chromen-4-yl)-N,N-dimethylimidazole-1-sulfonamide
PubChem CID57243248
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name4-(3,4-dihydro-2H-chromen-4-yl)-N,N-dimethylimidazole-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1cnc(C2CCOc3ccccc32)c1
InChIInChI=1S/C14H17N3O3S/c1-16(2)21(18,19)17-9-13(15-10-17)11-7-8-20-14-6-4-3-5-12(11)14/h3-6,9-11H,7-8H2,1-2H3
InChIKeyMLJBHRUCKZLXTG-UHFFFAOYSA-N
XLogP1.45
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-1-methylpyrazole-4-sulfonamide
CID 61108787
2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazole-5-carbaldehyde
CID 65404990
4-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]-N,N,5-trimethylfuran-2-sulfonamide
CID 139003824
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide
CID 94197081
N-(3,4-dihydro-2H-chromen-4-yl)-N,2-dimethylbenzenesulfonamide
CID 110751242
5-(3,4-dihydro-2H-chromen-4-yl)-3-phenyl-1H-1,2,4-triazole
CID 63708320
N-(3,4-dihydro-2H-chromen-4-yl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 110751240
2-(3,4-dihydro-2H-chromen-4-yl)-1H-imidazole-5-carbaldehyde
CID 65404715
N-(3,4-dihydro-2H-chromen-4-yl)-1-methylsulfonylpiperidin-4-amine
CID 43628795
3-cyclopropyl-5-(3,4-dihydro-2H-chromen-4-yl)-1H-1,2,4-triazole
CID 55227631
N-methyl-N-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 134793852
(4R)-4-[[methyl(propan-2-yl)sulfamoyl]amino]-3,4-dihydro-2H-chromene
CID 94026699

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-chromen-4-yl)-N,N-dimethylimidazole-1-sulfonamide?
The IUPAC name of 4-(3,4-dihydro-2H-chromen-4-yl)-N,N-dimethylimidazole-1-sulfonamide (CID 57243248) is 4-(3,4-dihydro-2H-chromen-4-yl)-N,N-dimethylimidazole-1-sulfonamide.
What is the SMILES notation for 4-(3,4-dihydro-2H-chromen-4-yl)-N,N-dimethylimidazole-1-sulfonamide?
The canonical SMILES for 4-(3,4-dihydro-2H-chromen-4-yl)-N,N-dimethylimidazole-1-sulfonamide is CN(C)S(=O)(=O)n1cnc(C2CCOc3ccccc32)c1.
What is the InChIKey of 4-(3,4-dihydro-2H-chromen-4-yl)-N,N-dimethylimidazole-1-sulfonamide?
The InChIKey is MLJBHRUCKZLXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-16(2)21(18,19)17-9-13(15-10-17)11-7-8-20-14-6-4-3-5-12(11)14/h3-6,9-11H,7-8H2,1-2H3.
What are the key properties of 4-(3,4-dihydro-2H-chromen-4-yl)-N,N-dimethylimidazole-1-sulfonamide?
4-(3,4-dihydro-2H-chromen-4-yl)-N,N-dimethylimidazole-1-sulfonamide has a molecular weight of 307.38 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-chromen-4-yl)-N,N-dimethylimidazole-1-sulfonamide is sourced from PubChem (CID 57243248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).