2,4-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide

C13H16Cl2N2O3S — CID 3729717

IUPAC2,4-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
SMILESO=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H16Cl2N2O3S/c14-10-4-5-12(11(15)9-10)21(19,20)16-6-2-8-17-7-1-3-13(17)18/h4-5,9,16H,1-3,6-8H2
InChIKeyWLCVTNDJFDMAJQ-UHFFFAOYSA-N
MW351.26 g/mol
LogP2.28
Rot. Bonds6

About 2,4-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide

2,4-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide (PubChem CID 3729717) has the molecular formula C13H16Cl2N2O3S and a molecular weight of 351.26 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
PubChem CID3729717
Molecular FormulaC13H16Cl2N2O3S
Molecular Weight351.26 g/mol
Exact Mass350.03
IUPAC Name2,4-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
SMILESO=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H16Cl2N2O3S/c14-10-4-5-12(11(15)9-10)21(19,20)16-6-2-8-17-7-1-3-13(17)18/h4-5,9,16H,1-3,6-8H2
InChIKeyWLCVTNDJFDMAJQ-UHFFFAOYSA-N
XLogP2.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.26
LogP ≤ 52.28
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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Related Compounds

4-chloro-2-nitro-N-[3-(2-oxoazepan-1-yl)propyl]benzenesulfonamide
CID 94008380
2-bromo-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 60732446
1-[3-[(2,4-dichlorophenyl)methylamino]propyl]pyrrolidin-2-one;hydrochloride
CID 17211943
2,4-dichloro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 3801591
4-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,4-disulfonamide
CID 18227621
3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 2573541
2-(2,5-dichlorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 8787363
2,4-dichloro-N-[2-(2-oxo-1H-imidazol-3-yl)ethyl]benzenesulfonamide
CID 25039551
5-(dimethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]naphthalene-1-sulfonamide
CID 10287154
2,5-dichloro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 25037231
1-benzyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-phenylpyrazole-4-sulfonamide
CID 42348521
3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenylpyrazole-4-sulfonamide
CID 42283291

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide (CID 3729717) is 2,4-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide is O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide?
The InChIKey is WLCVTNDJFDMAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O3S/c14-10-4-5-12(11(15)9-10)21(19,20)16-6-2-8-17-7-1-3-13(17)18/h4-5,9,16H,1-3,6-8H2.
What are the key properties of 2,4-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide?
2,4-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide has a molecular weight of 351.26 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 3729717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).