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

C16H18ClN3O3S — CID 3875844

IUPAC3-amino-N-(4-chlorophenyl)-4-morpholin-4-ylbenzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1N1CCOCC1
InChIInChI=1S/C16H18ClN3O3S/c17-12-1-3-13(4-2-12)19-24(21,22)14-5-6-16(15(18)11-14)20-7-9-23-10-8-20/h1-6,11,19H,7-10,18H2
InChIKeyOGXVDBQWLYKUQF-UHFFFAOYSA-N
MW367.86 g/mol
LogP2.56
Rot. Bonds4

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

3-amino-N-(4-chlorophenyl)-4-morpholin-4-ylbenzenesulfonamide (PubChem CID 3875844) has the molecular formula C16H18ClN3O3S and a molecular weight of 367.86 g/mol. Its IUPAC name is 3-amino-N-(4-chlorophenyl)-4-morpholin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(4-chlorophenyl)-4-morpholin-4-ylbenzenesulfonamide
PubChem CID3875844
Molecular FormulaC16H18ClN3O3S
Molecular Weight367.86 g/mol
Exact Mass367.08
IUPAC Name3-amino-N-(4-chlorophenyl)-4-morpholin-4-ylbenzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1N1CCOCC1
InChIInChI=1S/C16H18ClN3O3S/c17-12-1-3-13(4-2-12)19-24(21,22)14-5-6-16(15(18)11-14)20-7-9-23-10-8-20/h1-6,11,19H,7-10,18H2
InChIKeyOGXVDBQWLYKUQF-UHFFFAOYSA-N
XLogP2.56
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-chlorophenyl)-4-morpholin-4-ylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(4-chlorophenyl)-4-morpholin-4-ylbenzenesulfonamide (CID 3875844) is 3-amino-N-(4-chlorophenyl)-4-morpholin-4-ylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(4-chlorophenyl)-4-morpholin-4-ylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(4-chlorophenyl)-4-morpholin-4-ylbenzenesulfonamide is Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1N1CCOCC1.
What is the InChIKey of 3-amino-N-(4-chlorophenyl)-4-morpholin-4-ylbenzenesulfonamide?
The InChIKey is OGXVDBQWLYKUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3S/c17-12-1-3-13(4-2-12)19-24(21,22)14-5-6-16(15(18)11-14)20-7-9-23-10-8-20/h1-6,11,19H,7-10,18H2.
What are the key properties of 3-amino-N-(4-chlorophenyl)-4-morpholin-4-ylbenzenesulfonamide?
3-amino-N-(4-chlorophenyl)-4-morpholin-4-ylbenzenesulfonamide has a molecular weight of 367.86 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-chlorophenyl)-4-morpholin-4-ylbenzenesulfonamide is sourced from PubChem (CID 3875844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).