5-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylimidazole-4-sulfonamide

C13H16N4O3S — CID 63978130

IUPAC5-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylimidazole-4-sulfonamide
SMILESCn1cnc(N)c1S(=O)(=O)NCC1Cc2ccccc2O1
InChIInChI=1S/C13H16N4O3S/c1-17-8-15-12(14)13(17)21(18,19)16-7-10-6-9-4-2-3-5-11(9)20-10/h2-5,8,10,16H,6-7,14H2,1H3
InChIKeyHCMLZHNRFZIHDC-UHFFFAOYSA-N
MW308.36 g/mol
LogP0.28
Rot. Bonds4

About 5-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylimidazole-4-sulfonamide

5-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylimidazole-4-sulfonamide (PubChem CID 63978130) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is 5-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylimidazole-4-sulfonamide
PubChem CID63978130
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC Name5-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylimidazole-4-sulfonamide
SMILESCn1cnc(N)c1S(=O)(=O)NCC1Cc2ccccc2O1
InChIInChI=1S/C13H16N4O3S/c1-17-8-15-12(14)13(17)21(18,19)16-7-10-6-9-4-2-3-5-11(9)20-10/h2-5,8,10,16H,6-7,14H2,1H3
InChIKeyHCMLZHNRFZIHDC-UHFFFAOYSA-N
XLogP0.28
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylimidazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylimidazole-4-sulfonamide (CID 63978130) is 5-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylimidazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylimidazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylimidazole-4-sulfonamide is Cn1cnc(N)c1S(=O)(=O)NCC1Cc2ccccc2O1.
What is the InChIKey of 5-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylimidazole-4-sulfonamide?
The InChIKey is HCMLZHNRFZIHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-17-8-15-12(14)13(17)21(18,19)16-7-10-6-9-4-2-3-5-11(9)20-10/h2-5,8,10,16H,6-7,14H2,1H3.
What are the key properties of 5-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylimidazole-4-sulfonamide?
5-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylimidazole-4-sulfonamide has a molecular weight of 308.36 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylimidazole-4-sulfonamide is sourced from PubChem (CID 63978130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).