N-hydroxy-4-(phenylsulfanylmethyl)benzamide

C14H13NO2S — CID 135365964

IUPACN-hydroxy-4-(phenylsulfanylmethyl)benzamide
SMILESO=C(NO)c1ccc(CSc2ccccc2)cc1
InChIInChI=1S/C14H13NO2S/c16-14(15-17)12-8-6-11(7-9-12)10-18-13-4-2-1-3-5-13/h1-9,17H,10H2,(H,15,16)
InChIKeyFMYQSRPTTAJEFH-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.10
Rot. Bonds4

About N-hydroxy-4-(phenylsulfanylmethyl)benzamide

N-hydroxy-4-(phenylsulfanylmethyl)benzamide (PubChem CID 135365964) has the molecular formula C14H13NO2S and a molecular weight of 259.33 g/mol. Its IUPAC name is N-hydroxy-4-(phenylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-hydroxy-4-(phenylsulfanylmethyl)benzamide
PubChem CID135365964
Molecular FormulaC14H13NO2S
Molecular Weight259.33 g/mol
Exact Mass259.07
IUPAC NameN-hydroxy-4-(phenylsulfanylmethyl)benzamide
SMILESO=C(NO)c1ccc(CSc2ccccc2)cc1
InChIInChI=1S/C14H13NO2S/c16-14(15-17)12-8-6-11(7-9-12)10-18-13-4-2-1-3-5-13/h1-9,17H,10H2,(H,15,16)
InChIKeyFMYQSRPTTAJEFH-UHFFFAOYSA-N
XLogP3.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-(1-hydroxypropan-2-yl)-4-(phenylsulfanylmethyl)benzamide
CID 78856906
N-(2-fluorophenyl)-4-(phenylsulfanylmethyl)benzamide
CID 2899761
N-[2-(ethylamino)ethyl]-4-(phenylsulfanylmethyl)benzamide
CID 119509159
cis-(1R,3S)-3-[[4-(phenylsulfanylmethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120678421
(4-chlorophenyl)-[4-(phenylsulfanylmethyl)phenyl]methanone
CID 139753747
N-[(R)-(4-methylphenyl)-phenylmethyl]-4-(phenylsulfanylmethyl)benzamide
CID 28632234
N-[(1S)-3-methyl-1-phenylbutyl]-4-(phenylsulfanylmethyl)benzamide
CID 28577439
N-[3-(hydroxymethyl)phenyl]-4-(phenylsulfanylmethyl)benzamide
CID 112766684
2-amino-2-[4-(phenylsulfanylmethyl)phenyl]acetic acid
CID 155934555
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(phenylsulfanylmethyl)benzamide
CID 958858
N'-(cyclohexen-1-yl)-4-(phenylsulfanylmethyl)benzohydrazide
CID 3663481
phenyl-[4-[4-(phenylsulfanylmethyl)benzoyl]piperazin-1-yl]methanone
CID 112792143

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-(phenylsulfanylmethyl)benzamide?
The IUPAC name of N-hydroxy-4-(phenylsulfanylmethyl)benzamide (CID 135365964) is N-hydroxy-4-(phenylsulfanylmethyl)benzamide.
What is the SMILES notation for N-hydroxy-4-(phenylsulfanylmethyl)benzamide?
The canonical SMILES for N-hydroxy-4-(phenylsulfanylmethyl)benzamide is O=C(NO)c1ccc(CSc2ccccc2)cc1.
What is the InChIKey of N-hydroxy-4-(phenylsulfanylmethyl)benzamide?
The InChIKey is FMYQSRPTTAJEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2S/c16-14(15-17)12-8-6-11(7-9-12)10-18-13-4-2-1-3-5-13/h1-9,17H,10H2,(H,15,16).
What are the key properties of N-hydroxy-4-(phenylsulfanylmethyl)benzamide?
N-hydroxy-4-(phenylsulfanylmethyl)benzamide has a molecular weight of 259.33 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-(phenylsulfanylmethyl)benzamide is sourced from PubChem (CID 135365964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).