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

C12H19NO3S — CID 25263453

IUPACN-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide
SMILESCC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H19NO3S/c1-3-10(2)12(9-14)13-17(15,16)11-7-5-4-6-8-11/h4-8,10,12-14H,3,9H2,1-2H3/t10-,12+/m0/s1
InChIKeySEEHSUVGODFWMQ-CMPLNLGQSA-N
MW257.35 g/mol
LogP1.37
Rot. Bonds6

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

N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide (PubChem CID 25263453) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide
PubChem CID25263453
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC NameN-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide
SMILESCC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H19NO3S/c1-3-10(2)12(9-14)13-17(15,16)11-7-5-4-6-8-11/h4-8,10,12-14H,3,9H2,1-2H3/t10-,12+/m0/s1
InChIKeySEEHSUVGODFWMQ-CMPLNLGQSA-N
XLogP1.37
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide?
The IUPAC name of N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide (CID 25263453) is N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide?
The canonical SMILES for N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide is CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide?
The InChIKey is SEEHSUVGODFWMQ-CMPLNLGQSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-3-10(2)12(9-14)13-17(15,16)11-7-5-4-6-8-11/h4-8,10,12-14H,3,9H2,1-2H3/t10-,12+/m0/s1.
What are the key properties of N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide?
N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide has a molecular weight of 257.35 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide is sourced from PubChem (CID 25263453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).