2,5-dichloro-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

C14H20Cl2N2O4S — CID 654841

IUPAC2,5-dichloro-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESCOc1cc(Cl)c(S(=O)(=O)NCCCN2CCOCC2)cc1Cl
InChIInChI=1S/C14H20Cl2N2O4S/c1-21-13-9-12(16)14(10-11(13)15)23(19,20)17-3-2-4-18-5-7-22-8-6-18/h9-10,17H,2-8H2,1H3
InChIKeyWJCQAPKONOFLCJ-UHFFFAOYSA-N
MW383.30 g/mol
LogP2.00
Rot. Bonds7

About 2,5-dichloro-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

2,5-dichloro-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (PubChem CID 654841) has the molecular formula C14H20Cl2N2O4S and a molecular weight of 383.30 g/mol. Its IUPAC name is 2,5-dichloro-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
PubChem CID654841
Molecular FormulaC14H20Cl2N2O4S
Molecular Weight383.30 g/mol
Exact Mass382.05
IUPAC Name2,5-dichloro-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESCOc1cc(Cl)c(S(=O)(=O)NCCCN2CCOCC2)cc1Cl
InChIInChI=1S/C14H20Cl2N2O4S/c1-21-13-9-12(16)14(10-11(13)15)23(19,20)17-3-2-4-18-5-7-22-8-6-18/h9-10,17H,2-8H2,1H3
InChIKeyWJCQAPKONOFLCJ-UHFFFAOYSA-N
XLogP2.00
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-5-chloro-2-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide;hydrochloride
CID 3047039
2,4-dichloro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 3801591
5-bromo-2-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 2059491
2,5-dichloro-4-methoxy-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide
CID 6971852
2-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)-5-propan-2-ylbenzenesulfonamide
CID 3132631
2-bromo-4,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 3138209
5-fluoro-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 6487446
1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-morpholin-4-ylpropyl)thiourea
CID 8748306
N-[(3-chloro-4-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 29241559
2-methoxy-5-methylsulfonyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 110300194
2-chloro-N-(3-morpholin-4-ylpropyl)pyridine-3-sulfonamide
CID 43415001
4-ethoxy-2,3-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 16644712

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (CID 654841) is 2,5-dichloro-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is COc1cc(Cl)c(S(=O)(=O)NCCCN2CCOCC2)cc1Cl.
What is the InChIKey of 2,5-dichloro-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The InChIKey is WJCQAPKONOFLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O4S/c1-21-13-9-12(16)14(10-11(13)15)23(19,20)17-3-2-4-18-5-7-22-8-6-18/h9-10,17H,2-8H2,1H3.
What are the key properties of 2,5-dichloro-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
2,5-dichloro-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide has a molecular weight of 383.30 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 654841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).