2,5-dichloro-N-(3-propan-2-yloxypropyl)benzenesulfonamide

C12H17Cl2NO3S — CID 2211657

IUPAC2,5-dichloro-N-(3-propan-2-yloxypropyl)benzenesulfonamide
SMILESCC(C)OCCCNS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H17Cl2NO3S/c1-9(2)18-7-3-6-15-19(16,17)12-8-10(13)4-5-11(12)14/h4-5,8-9,15H,3,6-7H2,1-2H3
InChIKeyJSBOGROFFPLUIV-UHFFFAOYSA-N
MW326.25 g/mol
LogP3.09
Rot. Bonds7

About 2,5-dichloro-N-(3-propan-2-yloxypropyl)benzenesulfonamide

2,5-dichloro-N-(3-propan-2-yloxypropyl)benzenesulfonamide (PubChem CID 2211657) has the molecular formula C12H17Cl2NO3S and a molecular weight of 326.25 g/mol. Its IUPAC name is 2,5-dichloro-N-(3-propan-2-yloxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(3-propan-2-yloxypropyl)benzenesulfonamide
PubChem CID2211657
Molecular FormulaC12H17Cl2NO3S
Molecular Weight326.25 g/mol
Exact Mass325.03
IUPAC Name2,5-dichloro-N-(3-propan-2-yloxypropyl)benzenesulfonamide
SMILESCC(C)OCCCNS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H17Cl2NO3S/c1-9(2)18-7-3-6-15-19(16,17)12-8-10(13)4-5-11(12)14/h4-5,8-9,15H,3,6-7H2,1-2H3
InChIKeyJSBOGROFFPLUIV-UHFFFAOYSA-N
XLogP3.09
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.25
LogP ≤ 53.09
H-Bond Donors ≤ 51
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 2,5-dichloro-N-(3-propan-2-yloxypropyl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(3-propan-2-yloxypropyl)benzenesulfonamide (CID 2211657) is 2,5-dichloro-N-(3-propan-2-yloxypropyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(3-propan-2-yloxypropyl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(3-propan-2-yloxypropyl)benzenesulfonamide is CC(C)OCCCNS(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(3-propan-2-yloxypropyl)benzenesulfonamide?
The InChIKey is JSBOGROFFPLUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO3S/c1-9(2)18-7-3-6-15-19(16,17)12-8-10(13)4-5-11(12)14/h4-5,8-9,15H,3,6-7H2,1-2H3.
What are the key properties of 2,5-dichloro-N-(3-propan-2-yloxypropyl)benzenesulfonamide?
2,5-dichloro-N-(3-propan-2-yloxypropyl)benzenesulfonamide has a molecular weight of 326.25 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(3-propan-2-yloxypropyl)benzenesulfonamide is sourced from PubChem (CID 2211657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).