2,5-dichloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzenesulfonamide

C14H20Cl2N2O2S — CID 50875284

IUPAC2,5-dichloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzenesulfonamide
SMILESCN1CCC(CCNS(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C14H20Cl2N2O2S/c1-18-8-5-11(6-9-18)4-7-17-21(19,20)14-10-12(15)2-3-13(14)16/h2-3,10-11,17H,4-9H2,1H3
InChIKeyQEVQTAVWSFVSKE-UHFFFAOYSA-N
MW351.30 g/mol
LogP3.00
Rot. Bonds5

About 2,5-dichloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzenesulfonamide

2,5-dichloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzenesulfonamide (PubChem CID 50875284) has the molecular formula C14H20Cl2N2O2S and a molecular weight of 351.30 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzenesulfonamide
PubChem CID50875284
Molecular FormulaC14H20Cl2N2O2S
Molecular Weight351.30 g/mol
Exact Mass350.06
IUPAC Name2,5-dichloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzenesulfonamide
SMILESCN1CCC(CCNS(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C14H20Cl2N2O2S/c1-18-8-5-11(6-9-18)4-7-17-21(19,20)14-10-12(15)2-3-13(14)16/h2-3,10-11,17H,4-9H2,1H3
InChIKeyQEVQTAVWSFVSKE-UHFFFAOYSA-N
XLogP3.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,5-dichloro-N-[2-(1-methylpiperidin-4-yl)ethyl]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

4-amino-2-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzenesulfonamide
CID 114514907
2,5-dichloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 104972576
2,5-dichloro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 25037231
2,5-dichloro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
CID 95397422
5-(aminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]furan-2-sulfonamide
CID 114516893
3-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-sulfonamide
CID 103300524
2,5-dichloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]benzenesulfonamide
CID 42388791
4-amino-3-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]benzenesulfonamide
CID 114514910
5-(aminomethyl)-2-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-3-sulfonamide
CID 106082684
5-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridin-2-amine
CID 114515987
N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 56921270
N-(3-aminopropyl)-2,5-dichlorobenzenesulfonamide;hydrochloride
CID 119962044

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzenesulfonamide (CID 50875284) is 2,5-dichloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzenesulfonamide is CN1CCC(CCNS(=O)(=O)c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 2,5-dichloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzenesulfonamide?
The InChIKey is QEVQTAVWSFVSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O2S/c1-18-8-5-11(6-9-18)4-7-17-21(19,20)14-10-12(15)2-3-13(14)16/h2-3,10-11,17H,4-9H2,1H3.
What are the key properties of 2,5-dichloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzenesulfonamide?
2,5-dichloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzenesulfonamide has a molecular weight of 351.30 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 50875284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).