2-heptoxy-5-hydroxy-N-(trifluoromethylsulfonyl)benzamide

C15H20F3NO5S — CID 168826178

IUPAC2-heptoxy-5-hydroxy-N-(trifluoromethylsulfonyl)benzamide
SMILESCCCCCCCOc1ccc(O)cc1C(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C15H20F3NO5S/c1-2-3-4-5-6-9-24-13-8-7-11(20)10-12(13)14(21)19-25(22,23)15(16,17)18/h7-8,10,20H,2-6,9H2,1H3,(H,19,21)
InChIKeyBKGVWOYHOTXMJQ-UHFFFAOYSA-N
MW383.39 g/mol
LogP3.32
Rot. Bonds9

About 2-heptoxy-5-hydroxy-N-(trifluoromethylsulfonyl)benzamide

2-heptoxy-5-hydroxy-N-(trifluoromethylsulfonyl)benzamide (PubChem CID 168826178) has the molecular formula C15H20F3NO5S and a molecular weight of 383.39 g/mol. Its IUPAC name is 2-heptoxy-5-hydroxy-N-(trifluoromethylsulfonyl)benzamide.

Molecular Properties

Compound Name2-heptoxy-5-hydroxy-N-(trifluoromethylsulfonyl)benzamide
PubChem CID168826178
Molecular FormulaC15H20F3NO5S
Molecular Weight383.39 g/mol
Exact Mass383.10
IUPAC Name2-heptoxy-5-hydroxy-N-(trifluoromethylsulfonyl)benzamide
SMILESCCCCCCCOc1ccc(O)cc1C(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C15H20F3NO5S/c1-2-3-4-5-6-9-24-13-8-7-11(20)10-12(13)14(21)19-25(22,23)15(16,17)18/h7-8,10,20H,2-6,9H2,1H3,(H,19,21)
InChIKeyBKGVWOYHOTXMJQ-UHFFFAOYSA-N
XLogP3.32
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.39
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-2-(3,3,4,4,4-pentafluorobutoxy)-N-(trifluoromethylsulfonyl)benzamide
CID 168826330
3-iodo-4-octoxy-N-(trifluoromethylsulfonyl)benzamide
CID 168826375
4-nonoxybenzene-1,3-diol
CID 66563301
2-hexadecoxy-4-hydroxybenzoic acid
CID 102239307
3-(hydroxymethyl)-4-nonoxyphenol
CID 14278819
2,2,2-trifluoro-1-(2-hexoxyphenyl)ethanone
CID 83952477
5-bromo-N-[4-[(5-bromo-2-hexoxybenzoyl)amino]phenyl]-2-hexoxybenzamide
CID 17344071
5-fluoro-2-nonoxybenzoic acid
CID 115297915
1,2-bis(5-tert-butyl-2-octoxyphenyl)ethane-1,2-dione
CID 141165582
3,4-di(tridecoxy)benzoic acid
CID 66940296
5-bromo-2-hexoxy-N'-(2-methylbenzoyl)benzohydrazide
CID 17343483
2-hexoxy-5-sulfamoylbenzoic acid
CID 43322679

Frequently Asked Questions

What is the IUPAC name of 2-heptoxy-5-hydroxy-N-(trifluoromethylsulfonyl)benzamide?
The IUPAC name of 2-heptoxy-5-hydroxy-N-(trifluoromethylsulfonyl)benzamide (CID 168826178) is 2-heptoxy-5-hydroxy-N-(trifluoromethylsulfonyl)benzamide.
What is the SMILES notation for 2-heptoxy-5-hydroxy-N-(trifluoromethylsulfonyl)benzamide?
The canonical SMILES for 2-heptoxy-5-hydroxy-N-(trifluoromethylsulfonyl)benzamide is CCCCCCCOc1ccc(O)cc1C(=O)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-heptoxy-5-hydroxy-N-(trifluoromethylsulfonyl)benzamide?
The InChIKey is BKGVWOYHOTXMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO5S/c1-2-3-4-5-6-9-24-13-8-7-11(20)10-12(13)14(21)19-25(22,23)15(16,17)18/h7-8,10,20H,2-6,9H2,1H3,(H,19,21).
What are the key properties of 2-heptoxy-5-hydroxy-N-(trifluoromethylsulfonyl)benzamide?
2-heptoxy-5-hydroxy-N-(trifluoromethylsulfonyl)benzamide has a molecular weight of 383.39 g/mol, XLogP of 3.32, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptoxy-5-hydroxy-N-(trifluoromethylsulfonyl)benzamide is sourced from PubChem (CID 168826178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).