2,5-dichloro-N-[3-(dimethylamino)propyl]benzenesulfonamide

C11H16Cl2N2O2S — CID 661154

IUPAC2,5-dichloro-N-[3-(dimethylamino)propyl]benzenesulfonamide
SMILESCN(C)CCCNS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H16Cl2N2O2S/c1-15(2)7-3-6-14-18(16,17)11-8-9(12)4-5-10(11)13/h4-5,8,14H,3,6-7H2,1-2H3
InChIKeyZVNJMYWCXADFBF-UHFFFAOYSA-N
MW311.23 g/mol
LogP2.22
Rot. Bonds6

About 2,5-dichloro-N-[3-(dimethylamino)propyl]benzenesulfonamide

2,5-dichloro-N-[3-(dimethylamino)propyl]benzenesulfonamide (PubChem CID 661154) has the molecular formula C11H16Cl2N2O2S and a molecular weight of 311.23 g/mol. Its IUPAC name is 2,5-dichloro-N-[3-(dimethylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[3-(dimethylamino)propyl]benzenesulfonamide
PubChem CID661154
Molecular FormulaC11H16Cl2N2O2S
Molecular Weight311.23 g/mol
Exact Mass310.03
IUPAC Name2,5-dichloro-N-[3-(dimethylamino)propyl]benzenesulfonamide
SMILESCN(C)CCCNS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H16Cl2N2O2S/c1-15(2)7-3-6-14-18(16,17)11-8-9(12)4-5-10(11)13/h4-5,8,14H,3,6-7H2,1-2H3
InChIKeyZVNJMYWCXADFBF-UHFFFAOYSA-N
XLogP2.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.23
LogP ≤ 52.22
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-(dimethylamino)propyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[3-(dimethylamino)propyl]benzenesulfonamide (CID 661154) is 2,5-dichloro-N-[3-(dimethylamino)propyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[3-(dimethylamino)propyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[3-(dimethylamino)propyl]benzenesulfonamide is CN(C)CCCNS(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[3-(dimethylamino)propyl]benzenesulfonamide?
The InChIKey is ZVNJMYWCXADFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2O2S/c1-15(2)7-3-6-14-18(16,17)11-8-9(12)4-5-10(11)13/h4-5,8,14H,3,6-7H2,1-2H3.
What are the key properties of 2,5-dichloro-N-[3-(dimethylamino)propyl]benzenesulfonamide?
2,5-dichloro-N-[3-(dimethylamino)propyl]benzenesulfonamide has a molecular weight of 311.23 g/mol, XLogP of 2.22, 6 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-(dimethylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 661154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).