5-amino-N-(4-methoxyphenyl)-2-morpholin-4-ylbenzenesulfonamide

C17H21N3O4S — CID 2963517

IUPAC5-amino-N-(4-methoxyphenyl)-2-morpholin-4-ylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(N)ccc2N2CCOCC2)cc1
InChIInChI=1S/C17H21N3O4S/c1-23-15-5-3-14(4-6-15)19-25(21,22)17-12-13(18)2-7-16(17)20-8-10-24-11-9-20/h2-7,12,19H,8-11,18H2,1H3
InChIKeyLCUPRWOAVPUCBB-UHFFFAOYSA-N
MW363.44 g/mol
LogP1.91
Rot. Bonds5

About 5-amino-N-(4-methoxyphenyl)-2-morpholin-4-ylbenzenesulfonamide

5-amino-N-(4-methoxyphenyl)-2-morpholin-4-ylbenzenesulfonamide (PubChem CID 2963517) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 5-amino-N-(4-methoxyphenyl)-2-morpholin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(4-methoxyphenyl)-2-morpholin-4-ylbenzenesulfonamide
PubChem CID2963517
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name5-amino-N-(4-methoxyphenyl)-2-morpholin-4-ylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(N)ccc2N2CCOCC2)cc1
InChIInChI=1S/C17H21N3O4S/c1-23-15-5-3-14(4-6-15)19-25(21,22)17-12-13(18)2-7-16(17)20-8-10-24-11-9-20/h2-7,12,19H,8-11,18H2,1H3
InChIKeyLCUPRWOAVPUCBB-UHFFFAOYSA-N
XLogP1.91
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-methoxyphenyl)-2-morpholin-4-ylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(4-methoxyphenyl)-2-morpholin-4-ylbenzenesulfonamide (CID 2963517) is 5-amino-N-(4-methoxyphenyl)-2-morpholin-4-ylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(4-methoxyphenyl)-2-morpholin-4-ylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(4-methoxyphenyl)-2-morpholin-4-ylbenzenesulfonamide is COc1ccc(NS(=O)(=O)c2cc(N)ccc2N2CCOCC2)cc1.
What is the InChIKey of 5-amino-N-(4-methoxyphenyl)-2-morpholin-4-ylbenzenesulfonamide?
The InChIKey is LCUPRWOAVPUCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-23-15-5-3-14(4-6-15)19-25(21,22)17-12-13(18)2-7-16(17)20-8-10-24-11-9-20/h2-7,12,19H,8-11,18H2,1H3.
What are the key properties of 5-amino-N-(4-methoxyphenyl)-2-morpholin-4-ylbenzenesulfonamide?
5-amino-N-(4-methoxyphenyl)-2-morpholin-4-ylbenzenesulfonamide has a molecular weight of 363.44 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-methoxyphenyl)-2-morpholin-4-ylbenzenesulfonamide is sourced from PubChem (CID 2963517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).