N-hydroxy-3-(imidazol-1-ylmethyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide

C19H20N4O5S — CID 21310851

IUPACN-hydroxy-3-(imidazol-1-ylmethyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2c(Cn3ccnc3)cccc2C(=O)NO)cc1
InChIInChI=1S/C19H20N4O5S/c1-22(29(26,27)16-8-6-15(28-2)7-9-16)18-14(12-23-11-10-20-13-23)4-3-5-17(18)19(24)21-25/h3-11,13,25H,12H2,1-2H3,(H,21,24)
InChIKeyAJXYMDJBIXFLCO-UHFFFAOYSA-N
MW416.46 g/mol
LogP1.88
Rot. Bonds7

About N-hydroxy-3-(imidazol-1-ylmethyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide

N-hydroxy-3-(imidazol-1-ylmethyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide (PubChem CID 21310851) has the molecular formula C19H20N4O5S and a molecular weight of 416.46 g/mol. Its IUPAC name is N-hydroxy-3-(imidazol-1-ylmethyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide.

Molecular Properties

Compound NameN-hydroxy-3-(imidazol-1-ylmethyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
PubChem CID21310851
Molecular FormulaC19H20N4O5S
Molecular Weight416.46 g/mol
Exact Mass416.12
IUPAC NameN-hydroxy-3-(imidazol-1-ylmethyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2c(Cn3ccnc3)cccc2C(=O)NO)cc1
InChIInChI=1S/C19H20N4O5S/c1-22(29(26,27)16-8-6-15(28-2)7-9-16)18-14(12-23-11-10-20-13-23)4-3-5-17(18)19(24)21-25/h3-11,13,25H,12H2,1-2H3,(H,21,24)
InChIKeyAJXYMDJBIXFLCO-UHFFFAOYSA-N
XLogP1.88
TPSA113.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-(imidazol-1-ylmethyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide?
The IUPAC name of N-hydroxy-3-(imidazol-1-ylmethyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide (CID 21310851) is N-hydroxy-3-(imidazol-1-ylmethyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide.
What is the SMILES notation for N-hydroxy-3-(imidazol-1-ylmethyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide?
The canonical SMILES for N-hydroxy-3-(imidazol-1-ylmethyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide is COc1ccc(S(=O)(=O)N(C)c2c(Cn3ccnc3)cccc2C(=O)NO)cc1.
What is the InChIKey of N-hydroxy-3-(imidazol-1-ylmethyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide?
The InChIKey is AJXYMDJBIXFLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5S/c1-22(29(26,27)16-8-6-15(28-2)7-9-16)18-14(12-23-11-10-20-13-23)4-3-5-17(18)19(24)21-25/h3-11,13,25H,12H2,1-2H3,(H,21,24).
What are the key properties of N-hydroxy-3-(imidazol-1-ylmethyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide?
N-hydroxy-3-(imidazol-1-ylmethyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide has a molecular weight of 416.46 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-(imidazol-1-ylmethyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide is sourced from PubChem (CID 21310851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).