2,6-dichloro-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide

C11H13Cl2NO3S — CID 31481209

IUPAC2,6-dichloro-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@@H]1CCCO1)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H13Cl2NO3S/c12-9-4-1-5-10(13)11(9)18(15,16)14-7-8-3-2-6-17-8/h1,4-5,8,14H,2-3,6-7H2/t8-/m0/s1
InChIKeyOXBNRBAGFCBCQH-QMMMGPOBSA-N
MW310.20 g/mol
LogP2.45
Rot. Bonds4

About 2,6-dichloro-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide

2,6-dichloro-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide (PubChem CID 31481209) has the molecular formula C11H13Cl2NO3S and a molecular weight of 310.20 g/mol. Its IUPAC name is 2,6-dichloro-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-dichloro-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
PubChem CID31481209
Molecular FormulaC11H13Cl2NO3S
Molecular Weight310.20 g/mol
Exact Mass309.00
IUPAC Name2,6-dichloro-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@@H]1CCCO1)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H13Cl2NO3S/c12-9-4-1-5-10(13)11(9)18(15,16)14-7-8-3-2-6-17-8/h1,4-5,8,14H,2-3,6-7H2/t8-/m0/s1
InChIKeyOXBNRBAGFCBCQH-QMMMGPOBSA-N
XLogP2.45
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 2,6-dichloro-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide (CID 31481209) is 2,6-dichloro-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,6-dichloro-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2,6-dichloro-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide is O=S(=O)(NC[C@@H]1CCCO1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide?
The InChIKey is OXBNRBAGFCBCQH-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13Cl2NO3S/c12-9-4-1-5-10(13)11(9)18(15,16)14-7-8-3-2-6-17-8/h1,4-5,8,14H,2-3,6-7H2/t8-/m0/s1.
What are the key properties of 2,6-dichloro-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide?
2,6-dichloro-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide has a molecular weight of 310.20 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 31481209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).