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

C14H20Cl2N2O3S — CID 154739763

IUPAC3,4-dichloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzenesulfonamide
SMILESO=S(=O)(NCCCN1CCC(O)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H20Cl2N2O3S/c15-13-3-2-12(10-14(13)16)22(20,21)17-6-1-7-18-8-4-11(19)5-9-18/h2-3,10-11,17,19H,1,4-9H2
InChIKeyIVJXWWLIQNIUPO-UHFFFAOYSA-N
MW367.30 g/mol
LogP2.12
Rot. Bonds6

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

3,4-dichloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzenesulfonamide (PubChem CID 154739763) has the molecular formula C14H20Cl2N2O3S and a molecular weight of 367.30 g/mol. Its IUPAC name is 3,4-dichloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzenesulfonamide
PubChem CID154739763
Molecular FormulaC14H20Cl2N2O3S
Molecular Weight367.30 g/mol
Exact Mass366.06
IUPAC Name3,4-dichloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzenesulfonamide
SMILESO=S(=O)(NCCCN1CCC(O)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H20Cl2N2O3S/c15-13-3-2-12(10-14(13)16)22(20,21)17-6-1-7-18-8-4-11(19)5-9-18/h2-3,10-11,17,19H,1,4-9H2
InChIKeyIVJXWWLIQNIUPO-UHFFFAOYSA-N
XLogP2.12
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.30
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-4-chloro-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 106611329
N-(3-aminopropyl)-3,4-dichlorobenzenesulfonamide
CID 28754074
N-(5-bromopentyl)-3,4-dichlorobenzenesulfonamide
CID 107323042
3,4-dichloro-N-(2-fluoroethyl)benzenesulfonamide
CID 87814655
4-chloro-N-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-3-(trifluoromethyl)benzenesulfonamide
CID 78838120
3,4-dimethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide
CID 8844162
N-(2-aminoethyl)-3,4-dichlorobenzenesulfonamide;hydrochloride
CID 119960311
1-[3-[(4-chloro-3-nitrophenyl)methylamino]propyl]piperidin-4-ol
CID 110929379
3,4-dichloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120723468
N-[3-(4-phenylpiperidin-1-yl)propyl]naphthalene-2-sulfonamide
CID 168832226
4-chloro-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 43443247
3-chloro-4-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 119966394

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzenesulfonamide (CID 154739763) is 3,4-dichloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzenesulfonamide is O=S(=O)(NCCCN1CCC(O)CC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzenesulfonamide?
The InChIKey is IVJXWWLIQNIUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O3S/c15-13-3-2-12(10-14(13)16)22(20,21)17-6-1-7-18-8-4-11(19)5-9-18/h2-3,10-11,17,19H,1,4-9H2.
What are the key properties of 3,4-dichloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzenesulfonamide?
3,4-dichloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzenesulfonamide has a molecular weight of 367.30 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 154739763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).