2,5-dichloro-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide

C12H17Cl2NO3S — CID 25263452

IUPAC2,5-dichloro-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide
SMILESCC[C@H](C)[C@@H](CO)NS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H17Cl2NO3S/c1-3-8(2)11(7-16)15-19(17,18)12-6-9(13)4-5-10(12)14/h4-6,8,11,15-16H,3,7H2,1-2H3/t8-,11+/m0/s1
InChIKeyMGHHUQBPQOWCSH-GZMMTYOYSA-N
MW326.25 g/mol
LogP2.68
Rot. Bonds6

About 2,5-dichloro-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide

2,5-dichloro-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide (PubChem CID 25263452) has the molecular formula C12H17Cl2NO3S and a molecular weight of 326.25 g/mol. Its IUPAC name is 2,5-dichloro-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide
PubChem CID25263452
Molecular FormulaC12H17Cl2NO3S
Molecular Weight326.25 g/mol
Exact Mass325.03
IUPAC Name2,5-dichloro-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide
SMILESCC[C@H](C)[C@@H](CO)NS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H17Cl2NO3S/c1-3-8(2)11(7-16)15-19(17,18)12-6-9(13)4-5-10(12)14/h4-6,8,11,15-16H,3,7H2,1-2H3/t8-,11+/m0/s1
InChIKeyMGHHUQBPQOWCSH-GZMMTYOYSA-N
XLogP2.68
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.25
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide (CID 25263452) is 2,5-dichloro-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide is CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide?
The InChIKey is MGHHUQBPQOWCSH-GZMMTYOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO3S/c1-3-8(2)11(7-16)15-19(17,18)12-6-9(13)4-5-10(12)14/h4-6,8,11,15-16H,3,7H2,1-2H3/t8-,11+/m0/s1.
What are the key properties of 2,5-dichloro-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide?
2,5-dichloro-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide has a molecular weight of 326.25 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide is sourced from PubChem (CID 25263452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).