N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-fluorobenzamide

C24H26FN3O4S — CID 4010960

IUPACN-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-fluorobenzamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccccc2F)cc1S(=O)(=O)Nc1ccccc1OC
InChIInChI=1S/C24H26FN3O4S/c1-4-28(5-2)21-15-14-17(26-24(29)18-10-6-7-11-19(18)25)16-23(21)33(30,31)27-20-12-8-9-13-22(20)32-3/h6-16,27H,4-5H2,1-3H3,(H,26,29)
InChIKeyQNHIKZJBELHJKM-UHFFFAOYSA-N
MW471.55 g/mol
LogP4.73
Rot. Bonds9

About N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-fluorobenzamide

N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-fluorobenzamide (PubChem CID 4010960) has the molecular formula C24H26FN3O4S and a molecular weight of 471.55 g/mol. Its IUPAC name is N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-fluorobenzamide
PubChem CID4010960
Molecular FormulaC24H26FN3O4S
Molecular Weight471.55 g/mol
Exact Mass471.16
IUPAC NameN-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-fluorobenzamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccccc2F)cc1S(=O)(=O)Nc1ccccc1OC
InChIInChI=1S/C24H26FN3O4S/c1-4-28(5-2)21-15-14-17(26-24(29)18-10-6-7-11-19(18)25)16-23(21)33(30,31)27-20-12-8-9-13-22(20)32-3/h6-16,27H,4-5H2,1-3H3,(H,26,29)
InChIKeyQNHIKZJBELHJKM-UHFFFAOYSA-N
XLogP4.73
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.55
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-fluorobenzamide?
The IUPAC name of N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-fluorobenzamide (CID 4010960) is N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-fluorobenzamide.
What is the SMILES notation for N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-fluorobenzamide?
The canonical SMILES for N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-fluorobenzamide is CCN(CC)c1ccc(NC(=O)c2ccccc2F)cc1S(=O)(=O)Nc1ccccc1OC.
What is the InChIKey of N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-fluorobenzamide?
The InChIKey is QNHIKZJBELHJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O4S/c1-4-28(5-2)21-15-14-17(26-24(29)18-10-6-7-11-19(18)25)16-23(21)33(30,31)27-20-12-8-9-13-22(20)32-3/h6-16,27H,4-5H2,1-3H3,(H,26,29).
What are the key properties of N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-fluorobenzamide?
N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-fluorobenzamide has a molecular weight of 471.55 g/mol, XLogP of 4.73, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-fluorobenzamide is sourced from PubChem (CID 4010960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).