4-fluoro-N-[(3S,4S)-5-hydroxy-3-methyldecan-4-yl]benzenesulfonamide

C17H28FNO3S — CID 68539414

IUPAC4-fluoro-N-[(3S,4S)-5-hydroxy-3-methyldecan-4-yl]benzenesulfonamide
SMILESCCCCCC(O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)[C@@H](C)CC
InChIInChI=1S/C17H28FNO3S/c1-4-6-7-8-16(20)17(13(3)5-2)19-23(21,22)15-11-9-14(18)10-12-15/h9-13,16-17,19-20H,4-8H2,1-3H3/t13-,16?,17-/m0/s1
InChIKeyMOINSXNCHMJYNG-KAKCIXEOSA-N
MW345.48 g/mol
LogP3.46
Rot. Bonds10

About 4-fluoro-N-[(3S,4S)-5-hydroxy-3-methyldecan-4-yl]benzenesulfonamide

4-fluoro-N-[(3S,4S)-5-hydroxy-3-methyldecan-4-yl]benzenesulfonamide (PubChem CID 68539414) has the molecular formula C17H28FNO3S and a molecular weight of 345.48 g/mol. Its IUPAC name is 4-fluoro-N-[(3S,4S)-5-hydroxy-3-methyldecan-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(3S,4S)-5-hydroxy-3-methyldecan-4-yl]benzenesulfonamide
PubChem CID68539414
Molecular FormulaC17H28FNO3S
Molecular Weight345.48 g/mol
Exact Mass345.18
IUPAC Name4-fluoro-N-[(3S,4S)-5-hydroxy-3-methyldecan-4-yl]benzenesulfonamide
SMILESCCCCCC(O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)[C@@H](C)CC
InChIInChI=1S/C17H28FNO3S/c1-4-6-7-8-16(20)17(13(3)5-2)19-23(21,22)15-11-9-14(18)10-12-15/h9-13,16-17,19-20H,4-8H2,1-3H3/t13-,16?,17-/m0/s1
InChIKeyMOINSXNCHMJYNG-KAKCIXEOSA-N
XLogP3.46
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.48
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(3S,4S)-5-hydroxy-3-methyldecan-4-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[(3S,4S)-5-hydroxy-3-methyldecan-4-yl]benzenesulfonamide (CID 68539414) is 4-fluoro-N-[(3S,4S)-5-hydroxy-3-methyldecan-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[(3S,4S)-5-hydroxy-3-methyldecan-4-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[(3S,4S)-5-hydroxy-3-methyldecan-4-yl]benzenesulfonamide is CCCCCC(O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)[C@@H](C)CC.
What is the InChIKey of 4-fluoro-N-[(3S,4S)-5-hydroxy-3-methyldecan-4-yl]benzenesulfonamide?
The InChIKey is MOINSXNCHMJYNG-KAKCIXEOSA-N. The full InChI is InChI=1S/C17H28FNO3S/c1-4-6-7-8-16(20)17(13(3)5-2)19-23(21,22)15-11-9-14(18)10-12-15/h9-13,16-17,19-20H,4-8H2,1-3H3/t13-,16?,17-/m0/s1.
What are the key properties of 4-fluoro-N-[(3S,4S)-5-hydroxy-3-methyldecan-4-yl]benzenesulfonamide?
4-fluoro-N-[(3S,4S)-5-hydroxy-3-methyldecan-4-yl]benzenesulfonamide has a molecular weight of 345.48 g/mol, XLogP of 3.46, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(3S,4S)-5-hydroxy-3-methyldecan-4-yl]benzenesulfonamide is sourced from PubChem (CID 68539414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).