N-(2,5-dichlorophenyl)-5-[(2-fluorophenyl)sulfonylamino]-2-morpholin-4-ylbenzenesulfonamide

C22H20Cl2FN3O5S2 — CID 3504919

IUPACN-(2,5-dichlorophenyl)-5-[(2-fluorophenyl)sulfonylamino]-2-morpholin-4-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1)c1ccccc1F
InChIInChI=1S/C22H20Cl2FN3O5S2/c23-15-5-7-17(24)19(13-15)27-35(31,32)22-14-16(6-8-20(22)28-9-11-33-12-10-28)26-34(29,30)21-4-2-1-3-18(21)25/h1-8,13-14,26-27H,9-12H2
InChIKeyDRJMFNUCZNLMMG-UHFFFAOYSA-N
MW560.46 g/mol
LogP4.57
Rot. Bonds7

About N-(2,5-dichlorophenyl)-5-[(2-fluorophenyl)sulfonylamino]-2-morpholin-4-ylbenzenesulfonamide

N-(2,5-dichlorophenyl)-5-[(2-fluorophenyl)sulfonylamino]-2-morpholin-4-ylbenzenesulfonamide (PubChem CID 3504919) has the molecular formula C22H20Cl2FN3O5S2 and a molecular weight of 560.46 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-5-[(2-fluorophenyl)sulfonylamino]-2-morpholin-4-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-5-[(2-fluorophenyl)sulfonylamino]-2-morpholin-4-ylbenzenesulfonamide
PubChem CID3504919
Molecular FormulaC22H20Cl2FN3O5S2
Molecular Weight560.46 g/mol
Exact Mass559.02
IUPAC NameN-(2,5-dichlorophenyl)-5-[(2-fluorophenyl)sulfonylamino]-2-morpholin-4-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1)c1ccccc1F
InChIInChI=1S/C22H20Cl2FN3O5S2/c23-15-5-7-17(24)19(13-15)27-35(31,32)22-14-16(6-8-20(22)28-9-11-33-12-10-28)26-34(29,30)21-4-2-1-3-18(21)25/h1-8,13-14,26-27H,9-12H2
InChIKeyDRJMFNUCZNLMMG-UHFFFAOYSA-N
XLogP4.57
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.46
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 5010173
CID 5010173
CID 3866644
CID 3866644
CID 3635236
CID 3635236
CID 3870175
CID 3870175
CID 4308297
CID 4308297
CID 4173641
CID 4173641
CID 3750785
CID 3750785
CID 4885403
CID 4885403
CID 3865761
CID 3865761
CID 3523317
CID 3523317
CID 3988802
CID 3988802
CID 4335043
CID 4335043

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-5-[(2-fluorophenyl)sulfonylamino]-2-morpholin-4-ylbenzenesulfonamide?
The IUPAC name of N-(2,5-dichlorophenyl)-5-[(2-fluorophenyl)sulfonylamino]-2-morpholin-4-ylbenzenesulfonamide (CID 3504919) is N-(2,5-dichlorophenyl)-5-[(2-fluorophenyl)sulfonylamino]-2-morpholin-4-ylbenzenesulfonamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-5-[(2-fluorophenyl)sulfonylamino]-2-morpholin-4-ylbenzenesulfonamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-5-[(2-fluorophenyl)sulfonylamino]-2-morpholin-4-ylbenzenesulfonamide is O=S(=O)(Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1)c1ccccc1F.
What is the InChIKey of N-(2,5-dichlorophenyl)-5-[(2-fluorophenyl)sulfonylamino]-2-morpholin-4-ylbenzenesulfonamide?
The InChIKey is DRJMFNUCZNLMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2FN3O5S2/c23-15-5-7-17(24)19(13-15)27-35(31,32)22-14-16(6-8-20(22)28-9-11-33-12-10-28)26-34(29,30)21-4-2-1-3-18(21)25/h1-8,13-14,26-27H,9-12H2.
What are the key properties of N-(2,5-dichlorophenyl)-5-[(2-fluorophenyl)sulfonylamino]-2-morpholin-4-ylbenzenesulfonamide?
N-(2,5-dichlorophenyl)-5-[(2-fluorophenyl)sulfonylamino]-2-morpholin-4-ylbenzenesulfonamide has a molecular weight of 560.46 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-5-[(2-fluorophenyl)sulfonylamino]-2-morpholin-4-ylbenzenesulfonamide is sourced from PubChem (CID 3504919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).