2,5-dimethoxy-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide

C21H28N2O5S — CID 16892761

IUPAC2,5-dimethoxy-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCCCN2CCOC(c3ccccc3)C2)c1
InChIInChI=1S/C21H28N2O5S/c1-26-18-9-10-19(27-2)21(15-18)29(24,25)22-11-6-12-23-13-14-28-20(16-23)17-7-4-3-5-8-17/h3-5,7-10,15,20,22H,6,11-14,16H2,1-2H3
InChIKeyXDVUGGQNEMPYNI-UHFFFAOYSA-N
MW420.53 g/mol
LogP2.45
Rot. Bonds9

About 2,5-dimethoxy-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide

2,5-dimethoxy-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide (PubChem CID 16892761) has the molecular formula C21H28N2O5S and a molecular weight of 420.53 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide
PubChem CID16892761
Molecular FormulaC21H28N2O5S
Molecular Weight420.53 g/mol
Exact Mass420.17
IUPAC Name2,5-dimethoxy-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCCCN2CCOC(c3ccccc3)C2)c1
InChIInChI=1S/C21H28N2O5S/c1-26-18-9-10-19(27-2)21(15-18)29(24,25)22-11-6-12-23-13-14-28-20(16-23)17-7-4-3-5-8-17/h3-5,7-10,15,20,22H,6,11-14,16H2,1-2H3
InChIKeyXDVUGGQNEMPYNI-UHFFFAOYSA-N
XLogP2.45
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethoxy-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzenesulfonamide
CID 16895157
2-ethoxy-5-methyl-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide
CID 51866671
2,4,5-trimethyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide
CID 51866648
3,4-dimethoxy-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16892679
3,4-dimethoxy-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide
CID 30851072
2,5-difluoro-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide
CID 51866623
5-chloro-2-methyl-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzenesulfonamide
CID 51866754
5-chloro-2-methyl-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]benzenesulfonamide
CID 51866752
N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]naphthalene-2-sulfonamide
CID 30851092
4-tert-butyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide
CID 16892762
2,5-dichloro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzenesulfonamide
CID 16892861
2,4-difluoro-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]benzenesulfonamide
CID 51866734

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide (CID 16892761) is 2,5-dimethoxy-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)NCCCN2CCOC(c3ccccc3)C2)c1.
What is the InChIKey of 2,5-dimethoxy-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide?
The InChIKey is XDVUGGQNEMPYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5S/c1-26-18-9-10-19(27-2)21(15-18)29(24,25)22-11-6-12-23-13-14-28-20(16-23)17-7-4-3-5-8-17/h3-5,7-10,15,20,22H,6,11-14,16H2,1-2H3.
What are the key properties of 2,5-dimethoxy-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide?
2,5-dimethoxy-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide has a molecular weight of 420.53 g/mol, XLogP of 2.45, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 16892761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).