3-chloro-N-(2-morpholin-4-ylethoxy)benzenesulfonamide

C12H17ClN2O4S — CID 110417469

IUPAC3-chloro-N-(2-morpholin-4-ylethoxy)benzenesulfonamide
SMILESO=S(=O)(NOCCN1CCOCC1)c1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2O4S/c13-11-2-1-3-12(10-11)20(16,17)14-19-9-6-15-4-7-18-8-5-15/h1-3,10,14H,4-9H2
InChIKeyARBOFEPDUKUKOV-UHFFFAOYSA-N
MW320.80 g/mol
LogP0.88
Rot. Bonds6

About 3-chloro-N-(2-morpholin-4-ylethoxy)benzenesulfonamide

3-chloro-N-(2-morpholin-4-ylethoxy)benzenesulfonamide (PubChem CID 110417469) has the molecular formula C12H17ClN2O4S and a molecular weight of 320.80 g/mol. Its IUPAC name is 3-chloro-N-(2-morpholin-4-ylethoxy)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2-morpholin-4-ylethoxy)benzenesulfonamide
PubChem CID110417469
Molecular FormulaC12H17ClN2O4S
Molecular Weight320.80 g/mol
Exact Mass320.06
IUPAC Name3-chloro-N-(2-morpholin-4-ylethoxy)benzenesulfonamide
SMILESO=S(=O)(NOCCN1CCOCC1)c1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2O4S/c13-11-2-1-3-12(10-11)20(16,17)14-19-9-6-15-4-7-18-8-5-15/h1-3,10,14H,4-9H2
InChIKeyARBOFEPDUKUKOV-UHFFFAOYSA-N
XLogP0.88
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 55815977
1-(3-chlorophenyl)-3-(2-morpholin-4-ylethoxy)urea
CID 110417399
3-chloro-N-ethoxybenzenesulfonamide
CID 60700498
3-chloro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
CID 8844981
3-chloro-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzenesulfonamide
CID 32683344
4-methoxy-2,6-dimethyl-N-(2-morpholin-4-ylethoxy)benzenesulfonamide
CID 110417458
2,5-dimethoxy-N-(2-morpholin-4-ylethoxy)benzenesulfonamide
CID 110642838
3-chloro-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 30835865
3-chloro-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide
CID 32684364
3-chloro-N-(3-morpholin-4-ylphenyl)benzenesulfonamide
CID 55891569
3-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 84551613
3,4-dimethoxy-N-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide
CID 110643116

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-morpholin-4-ylethoxy)benzenesulfonamide?
The IUPAC name of 3-chloro-N-(2-morpholin-4-ylethoxy)benzenesulfonamide (CID 110417469) is 3-chloro-N-(2-morpholin-4-ylethoxy)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(2-morpholin-4-ylethoxy)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-(2-morpholin-4-ylethoxy)benzenesulfonamide is O=S(=O)(NOCCN1CCOCC1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-morpholin-4-ylethoxy)benzenesulfonamide?
The InChIKey is ARBOFEPDUKUKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O4S/c13-11-2-1-3-12(10-11)20(16,17)14-19-9-6-15-4-7-18-8-5-15/h1-3,10,14H,4-9H2.
What are the key properties of 3-chloro-N-(2-morpholin-4-ylethoxy)benzenesulfonamide?
3-chloro-N-(2-morpholin-4-ylethoxy)benzenesulfonamide has a molecular weight of 320.80 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-morpholin-4-ylethoxy)benzenesulfonamide is sourced from PubChem (CID 110417469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).