4-chloro-3-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

C14H21ClN2O4S — CID 2899334

IUPAC4-chloro-3-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCCCN2CCOCC2)ccc1Cl
InChIInChI=1S/C14H21ClN2O4S/c1-20-14-11-12(3-4-13(14)15)22(18,19)16-5-2-6-17-7-9-21-10-8-17/h3-4,11,16H,2,5-10H2,1H3
InChIKeyPYLRUKMOTHSAKX-UHFFFAOYSA-N
MW348.85 g/mol
LogP1.35
Rot. Bonds7

About 4-chloro-3-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

4-chloro-3-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (PubChem CID 2899334) has the molecular formula C14H21ClN2O4S and a molecular weight of 348.85 g/mol. Its IUPAC name is 4-chloro-3-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
PubChem CID2899334
Molecular FormulaC14H21ClN2O4S
Molecular Weight348.85 g/mol
Exact Mass348.09
IUPAC Name4-chloro-3-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCCCN2CCOCC2)ccc1Cl
InChIInChI=1S/C14H21ClN2O4S/c1-20-14-11-12(3-4-13(14)15)22(18,19)16-5-2-6-17-7-9-21-10-8-17/h3-4,11,16H,2,5-10H2,1H3
InChIKeyPYLRUKMOTHSAKX-UHFFFAOYSA-N
XLogP1.35
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.85
LogP ≤ 51.35
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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The IUPAC name of 4-chloro-3-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (CID 2899334) is 4-chloro-3-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-3-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-3-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is COc1cc(S(=O)(=O)NCCCN2CCOCC2)ccc1Cl.
What is the InChIKey of 4-chloro-3-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The InChIKey is PYLRUKMOTHSAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O4S/c1-20-14-11-12(3-4-13(14)15)22(18,19)16-5-2-6-17-7-9-21-10-8-17/h3-4,11,16H,2,5-10H2,1H3.
What are the key properties of 4-chloro-3-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
4-chloro-3-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide has a molecular weight of 348.85 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 2899334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).