6-[(benzylsulfonylamino)methyl]-N-hydroxy-1-benzothiophene-2-carboxamide

C17H16N2O4S2 — CID 11326364

IUPAC6-[(benzylsulfonylamino)methyl]-N-hydroxy-1-benzothiophene-2-carboxamide
SMILESO=C(NO)c1cc2ccc(CNS(=O)(=O)Cc3ccccc3)cc2s1
InChIInChI=1S/C17H16N2O4S2/c20-17(19-21)16-9-14-7-6-13(8-15(14)24-16)10-18-25(22,23)11-12-4-2-1-3-5-12/h1-9,18,21H,10-11H2,(H,19,20)
InChIKeyNVCZCAZTXISYMF-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.64
Rot. Bonds6

About 6-[(benzylsulfonylamino)methyl]-N-hydroxy-1-benzothiophene-2-carboxamide

6-[(benzylsulfonylamino)methyl]-N-hydroxy-1-benzothiophene-2-carboxamide (PubChem CID 11326364) has the molecular formula C17H16N2O4S2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 6-[(benzylsulfonylamino)methyl]-N-hydroxy-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name6-[(benzylsulfonylamino)methyl]-N-hydroxy-1-benzothiophene-2-carboxamide
PubChem CID11326364
Molecular FormulaC17H16N2O4S2
Molecular Weight376.46 g/mol
Exact Mass376.06
IUPAC Name6-[(benzylsulfonylamino)methyl]-N-hydroxy-1-benzothiophene-2-carboxamide
SMILESO=C(NO)c1cc2ccc(CNS(=O)(=O)Cc3ccccc3)cc2s1
InChIInChI=1S/C17H16N2O4S2/c20-17(19-21)16-9-14-7-6-13(8-15(14)24-16)10-18-25(22,23)11-12-4-2-1-3-5-12/h1-9,18,21H,10-11H2,(H,19,20)
InChIKeyNVCZCAZTXISYMF-UHFFFAOYSA-N
XLogP2.64
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Related Compounds

6-(benzamidomethyl)-1-benzothiophene-2-carboxylic acid
CID 68864110
methyl (2S)-2-[[4-[[[2-(hydroxycarbamoyl)-1-benzothiophen-6-yl]methylamino]methyl]phenyl]methylamino]-2-phenylacetate
CID 88946176
N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-phenylmethanesulfonamide
CID 110780394
6-N-(1,2-diphenylethyl)-2-N-hydroxy-1-benzothiophene-2,6-dicarboxamide
CID 58968905
(2R)-2-amino-5-[4-[[[2-(hydroxycarbamoyl)-1-benzothiophen-6-yl]methylamino]methyl]phenoxy]pentanoic acid
CID 15951532
N-hydroxy-6-phosphanyl-1-benzothiophene-2-carboxamide
CID 143667764
N-hydroxy-6-[2-(2-methylpropylamino)ethyl]-1-benzothiophene-2-carboxamide
CID 87770140
methyl 4-[(benzylsulfonylamino)methyl]-2-fluorobenzoate
CID 126506140
N-[[3-(hydroxymethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 63311495
3-(benzylsulfamoylmethyl)benzoic acid
CID 43362532
cyclopentyl 2-cyclohexyl-2-[[3-[[2-(hydroxycarbamoyl)-1-benzothiophen-6-yl]methylamino]phenyl]methylamino]acetate
CID 76677932
4-[(1-benzothiophene-2-carbonylamino)methyl]benzoic acid
CID 45302589

Frequently Asked Questions

What is the IUPAC name of 6-[(benzylsulfonylamino)methyl]-N-hydroxy-1-benzothiophene-2-carboxamide?
The IUPAC name of 6-[(benzylsulfonylamino)methyl]-N-hydroxy-1-benzothiophene-2-carboxamide (CID 11326364) is 6-[(benzylsulfonylamino)methyl]-N-hydroxy-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 6-[(benzylsulfonylamino)methyl]-N-hydroxy-1-benzothiophene-2-carboxamide?
The canonical SMILES for 6-[(benzylsulfonylamino)methyl]-N-hydroxy-1-benzothiophene-2-carboxamide is O=C(NO)c1cc2ccc(CNS(=O)(=O)Cc3ccccc3)cc2s1.
What is the InChIKey of 6-[(benzylsulfonylamino)methyl]-N-hydroxy-1-benzothiophene-2-carboxamide?
The InChIKey is NVCZCAZTXISYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S2/c20-17(19-21)16-9-14-7-6-13(8-15(14)24-16)10-18-25(22,23)11-12-4-2-1-3-5-12/h1-9,18,21H,10-11H2,(H,19,20).
What are the key properties of 6-[(benzylsulfonylamino)methyl]-N-hydroxy-1-benzothiophene-2-carboxamide?
6-[(benzylsulfonylamino)methyl]-N-hydroxy-1-benzothiophene-2-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 2.64, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(benzylsulfonylamino)methyl]-N-hydroxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 11326364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).