2-[(2S,3S)-1-hydroxy-3-methyloctan-2-yl]benzenesulfonamide

C15H25NO3S — CID 140551026

IUPAC2-[(2S,3S)-1-hydroxy-3-methyloctan-2-yl]benzenesulfonamide
SMILESCCCCC[C@H](C)[C@H](CO)c1ccccc1S(N)(=O)=O
InChIInChI=1S/C15H25NO3S/c1-3-4-5-8-12(2)14(11-17)13-9-6-7-10-15(13)20(16,18)19/h6-7,9-10,12,14,17H,3-5,8,11H2,1-2H3,(H2,16,18,19)/t12-,14-/m0/s1
InChIKeyDLVBVWPWNPOXGF-JSGCOSHPSA-N
MW299.44 g/mol
LogP2.63
Rot. Bonds8

About 2-[(2S,3S)-1-hydroxy-3-methyloctan-2-yl]benzenesulfonamide

2-[(2S,3S)-1-hydroxy-3-methyloctan-2-yl]benzenesulfonamide (PubChem CID 140551026) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-[(2S,3S)-1-hydroxy-3-methyloctan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[(2S,3S)-1-hydroxy-3-methyloctan-2-yl]benzenesulfonamide
PubChem CID140551026
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC Name2-[(2S,3S)-1-hydroxy-3-methyloctan-2-yl]benzenesulfonamide
SMILESCCCCC[C@H](C)[C@H](CO)c1ccccc1S(N)(=O)=O
InChIInChI=1S/C15H25NO3S/c1-3-4-5-8-12(2)14(11-17)13-9-6-7-10-15(13)20(16,18)19/h6-7,9-10,12,14,17H,3-5,8,11H2,1-2H3,(H2,16,18,19)/t12-,14-/m0/s1
InChIKeyDLVBVWPWNPOXGF-JSGCOSHPSA-N
XLogP2.63
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.63
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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Related Compounds

2-[(2S,3R)-1-hydroxy-3-methylnonan-2-yl]benzenesulfonamide
CID 140551000
2-[(3S,4S)-5-hydroxy-3-methylundecan-4-yl]benzenesulfonamide
CID 140550987
2-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 167679845
2-(2-bromopentan-3-yl)benzenesulfonamide
CID 63203612
2-(3-oxopentan-2-yl)benzenesulfonamide
CID 63549984
2-(4-methyldodecan-5-yl)phenol
CID 66867527
2-(3-chloropentan-2-yl)benzenesulfonamide
CID 63562150
sodium 2-dodecan-2-ylbenzenesulfonate
CID 23700934
2-nonylbenzenesulfonamide
CID 70447042
2-(2-methyltetradecan-3-yl)phenol
CID 66867142
2-hydroxy-N-octan-2-ylbenzenesulfonamide
CID 81241205
5-methylundecan-6-ylbenzene
CID 173025924

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3S)-1-hydroxy-3-methyloctan-2-yl]benzenesulfonamide?
The IUPAC name of 2-[(2S,3S)-1-hydroxy-3-methyloctan-2-yl]benzenesulfonamide (CID 140551026) is 2-[(2S,3S)-1-hydroxy-3-methyloctan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-[(2S,3S)-1-hydroxy-3-methyloctan-2-yl]benzenesulfonamide?
The canonical SMILES for 2-[(2S,3S)-1-hydroxy-3-methyloctan-2-yl]benzenesulfonamide is CCCCC[C@H](C)[C@H](CO)c1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-[(2S,3S)-1-hydroxy-3-methyloctan-2-yl]benzenesulfonamide?
The InChIKey is DLVBVWPWNPOXGF-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-3-4-5-8-12(2)14(11-17)13-9-6-7-10-15(13)20(16,18)19/h6-7,9-10,12,14,17H,3-5,8,11H2,1-2H3,(H2,16,18,19)/t12-,14-/m0/s1.
What are the key properties of 2-[(2S,3S)-1-hydroxy-3-methyloctan-2-yl]benzenesulfonamide?
2-[(2S,3S)-1-hydroxy-3-methyloctan-2-yl]benzenesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3S)-1-hydroxy-3-methyloctan-2-yl]benzenesulfonamide is sourced from PubChem (CID 140551026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).