N-[(3-fluorophenyl)methyl]-4-sulfanylbenzamide

C14H12FNOS — CID 107022080

IUPACN-[(3-fluorophenyl)methyl]-4-sulfanylbenzamide
SMILESO=C(NCc1cccc(F)c1)c1ccc(S)cc1
InChIInChI=1S/C14H12FNOS/c15-12-3-1-2-10(8-12)9-16-14(17)11-4-6-13(18)7-5-11/h1-8,18H,9H2,(H,16,17)
InChIKeyDJFUUZXCMFUIKK-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.04
Rot. Bonds3

About N-[(3-fluorophenyl)methyl]-4-sulfanylbenzamide

N-[(3-fluorophenyl)methyl]-4-sulfanylbenzamide (PubChem CID 107022080) has the molecular formula C14H12FNOS and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-4-sulfanylbenzamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-4-sulfanylbenzamide
PubChem CID107022080
Molecular FormulaC14H12FNOS
Molecular Weight261.32 g/mol
Exact Mass261.06
IUPAC NameN-[(3-fluorophenyl)methyl]-4-sulfanylbenzamide
SMILESO=C(NCc1cccc(F)c1)c1ccc(S)cc1
InChIInChI=1S/C14H12FNOS/c15-12-3-1-2-10(8-12)9-16-14(17)11-4-6-13(18)7-5-11/h1-8,18H,9H2,(H,16,17)
InChIKeyDJFUUZXCMFUIKK-UHFFFAOYSA-N
XLogP3.04
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[(3-fluorophenyl)methyl]-4-[4-(hydroxycarbamoyl)phenyl]benzamide
CID 87468494
4-sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 107020234
4-(ethylamino)-N-[(3-fluorophenyl)methyl]benzamide
CID 62165092
N-[(3-fluorophenyl)methyl]-4-(propylamino)benzamide
CID 62165093
N-[(3-cyanophenyl)methyl]-4-sulfanylbenzamide
CID 107028201
3-bromo-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide
CID 113244666
4-bromo-N-[(3-fluorophenyl)methyl]-3-hydroxybenzamide
CID 103830502
4-amino-N-[(3-fluorophenyl)methyl]-3-methylbenzamide
CID 28970018
4-[(E)-3,3-dimethylbut-1-enyl]-N-[(3-fluorophenyl)methyl]benzamide
CID 59811458
2-(3-fluorophenyl)-1-(4-sulfanylphenyl)ethanone
CID 155354849
6-chloro-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide
CID 24903422
3-[[(3-fluorobenzoyl)amino]methyl]benzoic acid
CID 60893305

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-4-sulfanylbenzamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-4-sulfanylbenzamide (CID 107022080) is N-[(3-fluorophenyl)methyl]-4-sulfanylbenzamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-4-sulfanylbenzamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-4-sulfanylbenzamide is O=C(NCc1cccc(F)c1)c1ccc(S)cc1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-4-sulfanylbenzamide?
The InChIKey is DJFUUZXCMFUIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNOS/c15-12-3-1-2-10(8-12)9-16-14(17)11-4-6-13(18)7-5-11/h1-8,18H,9H2,(H,16,17).
What are the key properties of N-[(3-fluorophenyl)methyl]-4-sulfanylbenzamide?
N-[(3-fluorophenyl)methyl]-4-sulfanylbenzamide has a molecular weight of 261.32 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-4-sulfanylbenzamide is sourced from PubChem (CID 107022080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).