3-amino-N-(4-methoxyphenyl)-4-morpholin-4-ylbenzenesulfonamide

C17H21N3O4S — CID 3292313

IUPAC3-amino-N-(4-methoxyphenyl)-4-morpholin-4-ylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(N)c2)cc1
InChIInChI=1S/C17H21N3O4S/c1-23-14-4-2-13(3-5-14)19-25(21,22)15-6-7-17(16(18)12-15)20-8-10-24-11-9-20/h2-7,12,19H,8-11,18H2,1H3
InChIKeyCJCRCJOYANWZJE-UHFFFAOYSA-N
MW363.44 g/mol
LogP1.91
Rot. Bonds5

About 3-amino-N-(4-methoxyphenyl)-4-morpholin-4-ylbenzenesulfonamide

3-amino-N-(4-methoxyphenyl)-4-morpholin-4-ylbenzenesulfonamide (PubChem CID 3292313) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 3-amino-N-(4-methoxyphenyl)-4-morpholin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(4-methoxyphenyl)-4-morpholin-4-ylbenzenesulfonamide
PubChem CID3292313
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name3-amino-N-(4-methoxyphenyl)-4-morpholin-4-ylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(N)c2)cc1
InChIInChI=1S/C17H21N3O4S/c1-23-14-4-2-13(3-5-14)19-25(21,22)15-6-7-17(16(18)12-15)20-8-10-24-11-9-20/h2-7,12,19H,8-11,18H2,1H3
InChIKeyCJCRCJOYANWZJE-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-Amino-N-(4-methoxy-phenyl)-2-morpholin-4-yl-benzenesulfonamide
CID 2963517
SB 258585
CID 3248571
3-iodo-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 10648664
N-(3-iodophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 17940215
3-iodo-N-(4-methoxy-3-piperazin-1-ylphenyl)benzenesulfonamide
CID 18180191
5-Amino-N-(2-methoxy-phenyl)-2-piperidin-1-yl-benzenesulfonamide
CID 2947325
Methyl 4-[(4-phenyl-1-piperazinyl)sulfonyl]phenyl ether
CID 756017
rac-N-[(1R,2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
CID 94784696
3-amino-N-(4-methoxyphenyl)-4-(pyrrolidin-1-yl)benzene-1-sulfonamide
CID 3674642
3-amino-N-(4-methoxyphenyl)-4-(piperidin-1-yl)benzene-1-sulfonamide
CID 3746718
5-amino-N-(4-methoxyphenyl)-2-(piperidin-1-yl)benzene-1-sulfonamide
CID 3792687
N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl}benzenesulfonamide
CID 23604942

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-methoxyphenyl)-4-morpholin-4-ylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(4-methoxyphenyl)-4-morpholin-4-ylbenzenesulfonamide (CID 3292313) is 3-amino-N-(4-methoxyphenyl)-4-morpholin-4-ylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(4-methoxyphenyl)-4-morpholin-4-ylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(4-methoxyphenyl)-4-morpholin-4-ylbenzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(N)c2)cc1.
What is the InChIKey of 3-amino-N-(4-methoxyphenyl)-4-morpholin-4-ylbenzenesulfonamide?
The InChIKey is CJCRCJOYANWZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-23-14-4-2-13(3-5-14)19-25(21,22)15-6-7-17(16(18)12-15)20-8-10-24-11-9-20/h2-7,12,19H,8-11,18H2,1H3.
What are the key properties of 3-amino-N-(4-methoxyphenyl)-4-morpholin-4-ylbenzenesulfonamide?
3-amino-N-(4-methoxyphenyl)-4-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 3-amino-N-(4-methoxyphenyl)-4-morpholin-4-ylbenzenesulfonamide is sourced from PubChem (CID 3292313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).