5-amino-N-(2,5-dichlorophenyl)-2-morpholin-4-ylbenzenesulfonamide

C16H17Cl2N3O3S — CID 3870175

IUPAC5-amino-N-(2,5-dichlorophenyl)-2-morpholin-4-ylbenzenesulfonamide
SMILESNc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C16H17Cl2N3O3S/c17-11-1-3-13(18)14(9-11)20-25(22,23)16-10-12(19)2-4-15(16)21-5-7-24-8-6-21/h1-4,9-10,20H,5-8,19H2
InChIKeyDTKQHSUVSPYGCK-UHFFFAOYSA-N
MW402.30 g/mol
LogP3.21
Rot. Bonds4

About 5-amino-N-(2,5-dichlorophenyl)-2-morpholin-4-ylbenzenesulfonamide

5-amino-N-(2,5-dichlorophenyl)-2-morpholin-4-ylbenzenesulfonamide (PubChem CID 3870175) has the molecular formula C16H17Cl2N3O3S and a molecular weight of 402.30 g/mol. Its IUPAC name is 5-amino-N-(2,5-dichlorophenyl)-2-morpholin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(2,5-dichlorophenyl)-2-morpholin-4-ylbenzenesulfonamide
PubChem CID3870175
Molecular FormulaC16H17Cl2N3O3S
Molecular Weight402.30 g/mol
Exact Mass401.04
IUPAC Name5-amino-N-(2,5-dichlorophenyl)-2-morpholin-4-ylbenzenesulfonamide
SMILESNc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C16H17Cl2N3O3S/c17-11-1-3-13(18)14(9-11)20-25(22,23)16-10-12(19)2-4-15(16)21-5-7-24-8-6-21/h1-4,9-10,20H,5-8,19H2
InChIKeyDTKQHSUVSPYGCK-UHFFFAOYSA-N
XLogP3.21
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.30
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-2-methylbenzenesulfonamide
CID 55880070
N-[[3-[(2,5-dichlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]carbamothioyl]cyclopentanecarboxamide
CID 4162559
3-[(5-chloro-2-morpholin-4-ylphenyl)sulfamoyl]-4,5-dimethylbenzoic acid
CID 4806611
5-amino-N-(2,5-dichlorophenyl)-3-fluoro-2-methylbenzenesulfonamide
CID 79898634
4-amino-N-(2,5-dichlorophenyl)benzenesulfonamide
CID 28590083
5-bromo-4-[(5-chloro-2-morpholin-4-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 39826976
N-[5-[(2,5-dichlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]naphthalene-2-carboxamide
CID 3996463
4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-3-methylsulfonylbenzamide
CID 26207980
N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 4206577
N-[5-[(2,5-dichlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]quinoline-2-carboxamide
CID 4848579
N-(5-chloro-2-morpholin-4-ylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8823097
5-amino-N-(5-chloro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 28537891

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,5-dichlorophenyl)-2-morpholin-4-ylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(2,5-dichlorophenyl)-2-morpholin-4-ylbenzenesulfonamide (CID 3870175) is 5-amino-N-(2,5-dichlorophenyl)-2-morpholin-4-ylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(2,5-dichlorophenyl)-2-morpholin-4-ylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(2,5-dichlorophenyl)-2-morpholin-4-ylbenzenesulfonamide is Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 5-amino-N-(2,5-dichlorophenyl)-2-morpholin-4-ylbenzenesulfonamide?
The InChIKey is DTKQHSUVSPYGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O3S/c17-11-1-3-13(18)14(9-11)20-25(22,23)16-10-12(19)2-4-15(16)21-5-7-24-8-6-21/h1-4,9-10,20H,5-8,19H2.
What are the key properties of 5-amino-N-(2,5-dichlorophenyl)-2-morpholin-4-ylbenzenesulfonamide?
5-amino-N-(2,5-dichlorophenyl)-2-morpholin-4-ylbenzenesulfonamide has a molecular weight of 402.30 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,5-dichlorophenyl)-2-morpholin-4-ylbenzenesulfonamide is sourced from PubChem (CID 3870175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).