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

C17H21N3O4S — CID 3823727

IUPAC5-amino-N-(2-methoxyphenyl)-2-morpholin-4-ylbenzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(N)ccc1N1CCOCC1
InChIInChI=1S/C17H21N3O4S/c1-23-16-5-3-2-4-14(16)19-25(21,22)17-12-13(18)6-7-15(17)20-8-10-24-11-9-20/h2-7,12,19H,8-11,18H2,1H3
InChIKeyXJBORLMWYCWUDB-UHFFFAOYSA-N
MW363.44 g/mol
LogP1.91
Rot. Bonds5

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

5-amino-N-(2-methoxyphenyl)-2-morpholin-4-ylbenzenesulfonamide (PubChem CID 3823727) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 5-amino-N-(2-methoxyphenyl)-2-morpholin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(2-methoxyphenyl)-2-morpholin-4-ylbenzenesulfonamide
PubChem CID3823727
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name5-amino-N-(2-methoxyphenyl)-2-morpholin-4-ylbenzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(N)ccc1N1CCOCC1
InChIInChI=1S/C17H21N3O4S/c1-23-16-5-3-2-4-14(16)19-25(21,22)17-12-13(18)6-7-15(17)20-8-10-24-11-9-20/h2-7,12,19H,8-11,18H2,1H3
InChIKeyXJBORLMWYCWUDB-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'}

Analyze 5-amino-N-(2-methoxyphenyl)-2-morpholin-4-ylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Amino-N-(4-methoxy-phenyl)-2-morpholin-4-yl-benzenesulfonamide
CID 2963517
SB 258585
CID 3248571
5-(Morpholine-4-sulfonyl)-2-phenoxyaniline
CID 3809457
5-Amino-N-(4-methoxy-phenyl)-2-pyrrolidin-1-yl-benzenesulfonamide
CID 3688660
5-amino-N-(2-methoxyphenyl)-2-(pyrrolidin-1-yl)benzene-1-sulfonamide
CID 3695295
5-amino-2-(diethylamino)-N-(2-methoxyphenyl)benzene-1-sulfonamide
CID 3851493
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
2-fluoro-N-((1r,4r)-4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)benzenesulfonamide
CID 44431547
N-((1r,4r)-4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)-2-nitrobenzenesulfonamide
CID 44431548
3-fluoro-N-((1r,4r)-4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)benzenesulfonamide
CID 44431551
4-(2,3-dihydro-4H-1,4-benzoxazin-4-ylsulfonyl)phenyl methyl ether
CID 1473035

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-methoxyphenyl)-2-morpholin-4-ylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(2-methoxyphenyl)-2-morpholin-4-ylbenzenesulfonamide (CID 3823727) is 5-amino-N-(2-methoxyphenyl)-2-morpholin-4-ylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(2-methoxyphenyl)-2-morpholin-4-ylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(2-methoxyphenyl)-2-morpholin-4-ylbenzenesulfonamide is COc1ccccc1NS(=O)(=O)c1cc(N)ccc1N1CCOCC1.
What is the InChIKey of 5-amino-N-(2-methoxyphenyl)-2-morpholin-4-ylbenzenesulfonamide?
The InChIKey is XJBORLMWYCWUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-23-16-5-3-2-4-14(16)19-25(21,22)17-12-13(18)6-7-15(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-(2-methoxyphenyl)-2-morpholin-4-ylbenzenesulfonamide?
5-amino-N-(2-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-(2-methoxyphenyl)-2-morpholin-4-ylbenzenesulfonamide is sourced from PubChem (CID 3823727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).