2,5-dichloro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide

C15H22Cl2N2O2S — CID 95397422

IUPAC2,5-dichloro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
SMILESC[C@H]1CCCN(CCCNS(=O)(=O)c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C15H22Cl2N2O2S/c1-12-4-2-8-19(11-12)9-3-7-18-22(20,21)15-10-13(16)5-6-14(15)17/h5-6,10,12,18H,2-4,7-9,11H2,1H3/t12-/m0/s1
InChIKeyMMIYDJVFZLMWST-LBPRGKRZSA-N
MW365.33 g/mol
LogP3.39
Rot. Bonds6

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

2,5-dichloro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide (PubChem CID 95397422) has the molecular formula C15H22Cl2N2O2S and a molecular weight of 365.33 g/mol. Its IUPAC name is 2,5-dichloro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
PubChem CID95397422
Molecular FormulaC15H22Cl2N2O2S
Molecular Weight365.33 g/mol
Exact Mass364.08
IUPAC Name2,5-dichloro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
SMILESC[C@H]1CCCN(CCCNS(=O)(=O)c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C15H22Cl2N2O2S/c1-12-4-2-8-19(11-12)9-3-7-18-22(20,21)15-10-13(16)5-6-14(15)17/h5-6,10,12,18H,2-4,7-9,11H2,1H3/t12-/m0/s1
InChIKeyMMIYDJVFZLMWST-LBPRGKRZSA-N
XLogP3.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.33
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2,5-dichloro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dimethyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
CID 94061337
2,5-dichloro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 25037231
4-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
CID 94061336
2,5-dichloro-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide
CID 132664382
2,5-dichloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]benzenesulfonamide
CID 42388791
2-chloro-4-cyano-N-[2-(3-methylpiperidin-1-yl)ethyl]benzenesulfonamide
CID 136521741
2,5-dichloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzenesulfonamide
CID 50875284
4-chloro-N-[5-[3-(3-methylpiperidin-1-yl)propylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 133186811
2,5-dichloro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzenesulfonamide
CID 16892861
5-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methylbenzenesulfonamide
CID 55603646
4-chloro-2-fluoro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzamide
CID 94119720
2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]benzenesulfonamide
CID 20935012

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide (CID 95397422) is 2,5-dichloro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide is C[C@H]1CCCN(CCCNS(=O)(=O)c2cc(Cl)ccc2Cl)C1.
What is the InChIKey of 2,5-dichloro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide?
The InChIKey is MMIYDJVFZLMWST-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22Cl2N2O2S/c1-12-4-2-8-19(11-12)9-3-7-18-22(20,21)15-10-13(16)5-6-14(15)17/h5-6,10,12,18H,2-4,7-9,11H2,1H3/t12-/m0/s1.
What are the key properties of 2,5-dichloro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide?
2,5-dichloro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide has a molecular weight of 365.33 g/mol, XLogP of 3.39, 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-[(3S)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide is sourced from PubChem (CID 95397422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).