2-fluoro-N-(3-hydroxypropyl)-5-sulfanylbenzamide

C10H12FNO2S — CID 107028407

IUPAC2-fluoro-N-(3-hydroxypropyl)-5-sulfanylbenzamide
SMILESO=C(NCCCO)c1cc(S)ccc1F
InChIInChI=1S/C10H12FNO2S/c11-9-3-2-7(15)6-8(9)10(14)12-4-1-5-13/h2-3,6,13,15H,1,4-5H2,(H,12,14)
InChIKeyRWNBXRXYWDETPQ-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.23
Rot. Bonds4

About 2-fluoro-N-(3-hydroxypropyl)-5-sulfanylbenzamide

2-fluoro-N-(3-hydroxypropyl)-5-sulfanylbenzamide (PubChem CID 107028407) has the molecular formula C10H12FNO2S and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-fluoro-N-(3-hydroxypropyl)-5-sulfanylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-(3-hydroxypropyl)-5-sulfanylbenzamide
PubChem CID107028407
Molecular FormulaC10H12FNO2S
Molecular Weight229.28 g/mol
Exact Mass229.06
IUPAC Name2-fluoro-N-(3-hydroxypropyl)-5-sulfanylbenzamide
SMILESO=C(NCCCO)c1cc(S)ccc1F
InChIInChI=1S/C10H12FNO2S/c11-9-3-2-7(15)6-8(9)10(14)12-4-1-5-13/h2-3,6,13,15H,1,4-5H2,(H,12,14)
InChIKeyRWNBXRXYWDETPQ-UHFFFAOYSA-N
XLogP1.23
TPSA49.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-hexyl-5-sulfanylbenzamide
CID 107030493
2-fluoro-5-sulfanyl-N-(5,5,5-trifluoropentyl)benzamide
CID 107033370
N-[2-(carbamoylamino)ethyl]-2-fluoro-5-sulfanylbenzamide
CID 107034092
5-amino-2-fluoro-N-(3-hydroxypropyl)benzamide
CID 43510918
2-fluoro-N-[3-[methyl(propan-2-yl)amino]propyl]-5-sulfanylbenzamide
CID 106040669
2-fluoro-N-(5-methylsulfanylpentyl)-5-sulfanylbenzamide
CID 114129326
N-[2-(dimethylcarbamoylamino)ethyl]-2-fluoro-5-sulfanylbenzamide
CID 107034079
N-(5-hydroxypentyl)-2-methyl-5-sulfanylbenzamide
CID 107323824
2-fluoro-N-(3-hydroxypropyl)-5-nitrobenzamide
CID 43808767
2-fluoro-N-(2-phenoxyethyl)-5-sulfanylbenzamide
CID 107026803
2-fluoro-N-[2-(methylamino)-2-oxoethyl]-5-sulfanylbenzamide
CID 107022570
2,6-difluoro-N-(3-hydroxypropyl)benzamide
CID 5203738

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-hydroxypropyl)-5-sulfanylbenzamide?
The IUPAC name of 2-fluoro-N-(3-hydroxypropyl)-5-sulfanylbenzamide (CID 107028407) is 2-fluoro-N-(3-hydroxypropyl)-5-sulfanylbenzamide.
What is the SMILES notation for 2-fluoro-N-(3-hydroxypropyl)-5-sulfanylbenzamide?
The canonical SMILES for 2-fluoro-N-(3-hydroxypropyl)-5-sulfanylbenzamide is O=C(NCCCO)c1cc(S)ccc1F.
What is the InChIKey of 2-fluoro-N-(3-hydroxypropyl)-5-sulfanylbenzamide?
The InChIKey is RWNBXRXYWDETPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2S/c11-9-3-2-7(15)6-8(9)10(14)12-4-1-5-13/h2-3,6,13,15H,1,4-5H2,(H,12,14).
What are the key properties of 2-fluoro-N-(3-hydroxypropyl)-5-sulfanylbenzamide?
2-fluoro-N-(3-hydroxypropyl)-5-sulfanylbenzamide has a molecular weight of 229.28 g/mol, XLogP of 1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-hydroxypropyl)-5-sulfanylbenzamide is sourced from PubChem (CID 107028407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).