5-amino-3-methyl-N-(4-propan-2-yloxyphenyl)imidazole-4-sulfonamide

C13H18N4O3S — CID 63978492

IUPAC5-amino-3-methyl-N-(4-propan-2-yloxyphenyl)imidazole-4-sulfonamide
SMILESCC(C)Oc1ccc(NS(=O)(=O)c2c(N)ncn2C)cc1
InChIInChI=1S/C13H18N4O3S/c1-9(2)20-11-6-4-10(5-7-11)16-21(18,19)13-12(14)15-8-17(13)3/h4-9,16H,14H2,1-3H3
InChIKeyQYICIZIVCLAOHB-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.59
Rot. Bonds5

About 5-amino-3-methyl-N-(4-propan-2-yloxyphenyl)imidazole-4-sulfonamide

5-amino-3-methyl-N-(4-propan-2-yloxyphenyl)imidazole-4-sulfonamide (PubChem CID 63978492) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 5-amino-3-methyl-N-(4-propan-2-yloxyphenyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-3-methyl-N-(4-propan-2-yloxyphenyl)imidazole-4-sulfonamide
PubChem CID63978492
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name5-amino-3-methyl-N-(4-propan-2-yloxyphenyl)imidazole-4-sulfonamide
SMILESCC(C)Oc1ccc(NS(=O)(=O)c2c(N)ncn2C)cc1
InChIInChI=1S/C13H18N4O3S/c1-9(2)20-11-6-4-10(5-7-11)16-21(18,19)13-12(14)15-8-17(13)3/h4-9,16H,14H2,1-3H3
InChIKeyQYICIZIVCLAOHB-UHFFFAOYSA-N
XLogP1.59
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methyl-N-(4-propan-2-yloxyphenyl)imidazole-4-sulfonamide?
The IUPAC name of 5-amino-3-methyl-N-(4-propan-2-yloxyphenyl)imidazole-4-sulfonamide (CID 63978492) is 5-amino-3-methyl-N-(4-propan-2-yloxyphenyl)imidazole-4-sulfonamide.
What is the SMILES notation for 5-amino-3-methyl-N-(4-propan-2-yloxyphenyl)imidazole-4-sulfonamide?
The canonical SMILES for 5-amino-3-methyl-N-(4-propan-2-yloxyphenyl)imidazole-4-sulfonamide is CC(C)Oc1ccc(NS(=O)(=O)c2c(N)ncn2C)cc1.
What is the InChIKey of 5-amino-3-methyl-N-(4-propan-2-yloxyphenyl)imidazole-4-sulfonamide?
The InChIKey is QYICIZIVCLAOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-9(2)20-11-6-4-10(5-7-11)16-21(18,19)13-12(14)15-8-17(13)3/h4-9,16H,14H2,1-3H3.
What are the key properties of 5-amino-3-methyl-N-(4-propan-2-yloxyphenyl)imidazole-4-sulfonamide?
5-amino-3-methyl-N-(4-propan-2-yloxyphenyl)imidazole-4-sulfonamide has a molecular weight of 310.38 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methyl-N-(4-propan-2-yloxyphenyl)imidazole-4-sulfonamide is sourced from PubChem (CID 63978492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).