4-hydroxy-N-methyl-3-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonylamino]benzamide

C14H18N4O4S — CID 167838173

IUPAC4-hydroxy-N-methyl-3-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonylamino]benzamide
SMILESCNC(=O)c1ccc(O)c(NS(=O)(=O)c2cnc(C(C)C)[nH]2)c1
InChIInChI=1S/C14H18N4O4S/c1-8(2)13-16-7-12(17-13)23(21,22)18-10-6-9(14(20)15-3)4-5-11(10)19/h4-8,18-19H,1-3H3,(H,15,20)(H,16,17)
InChIKeyOJFIADDJFBRWDY-UHFFFAOYSA-N
MW338.39 g/mol
LogP1.40
Rot. Bonds5

About 4-hydroxy-N-methyl-3-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonylamino]benzamide

4-hydroxy-N-methyl-3-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonylamino]benzamide (PubChem CID 167838173) has the molecular formula C14H18N4O4S and a molecular weight of 338.39 g/mol. Its IUPAC name is 4-hydroxy-N-methyl-3-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonylamino]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-methyl-3-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonylamino]benzamide
PubChem CID167838173
Molecular FormulaC14H18N4O4S
Molecular Weight338.39 g/mol
Exact Mass338.10
IUPAC Name4-hydroxy-N-methyl-3-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonylamino]benzamide
SMILESCNC(=O)c1ccc(O)c(NS(=O)(=O)c2cnc(C(C)C)[nH]2)c1
InChIInChI=1S/C14H18N4O4S/c1-8(2)13-16-7-12(17-13)23(21,22)18-10-6-9(14(20)15-3)4-5-11(10)19/h4-8,18-19H,1-3H3,(H,15,20)(H,16,17)
InChIKeyOJFIADDJFBRWDY-UHFFFAOYSA-N
XLogP1.40
TPSA124.18 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 51.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-methyl-3-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonylamino]benzamide?
The IUPAC name of 4-hydroxy-N-methyl-3-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonylamino]benzamide (CID 167838173) is 4-hydroxy-N-methyl-3-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonylamino]benzamide.
What is the SMILES notation for 4-hydroxy-N-methyl-3-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonylamino]benzamide?
The canonical SMILES for 4-hydroxy-N-methyl-3-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonylamino]benzamide is CNC(=O)c1ccc(O)c(NS(=O)(=O)c2cnc(C(C)C)[nH]2)c1.
What is the InChIKey of 4-hydroxy-N-methyl-3-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonylamino]benzamide?
The InChIKey is OJFIADDJFBRWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4S/c1-8(2)13-16-7-12(17-13)23(21,22)18-10-6-9(14(20)15-3)4-5-11(10)19/h4-8,18-19H,1-3H3,(H,15,20)(H,16,17).
What are the key properties of 4-hydroxy-N-methyl-3-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonylamino]benzamide?
4-hydroxy-N-methyl-3-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonylamino]benzamide has a molecular weight of 338.39 g/mol, XLogP of 1.40, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-methyl-3-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonylamino]benzamide is sourced from PubChem (CID 167838173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).