3-[(2-fluorophenyl)sulfamoyl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide

C25H26FN3O4S — CID 24516663

IUPAC3-[(2-fluorophenyl)sulfamoyl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1
InChIInChI=1S/C25H26FN3O4S/c1-28(18-19-9-11-21(12-10-19)29-13-15-33-16-14-29)25(30)20-5-4-6-22(17-20)34(31,32)27-24-8-3-2-7-23(24)26/h2-12,17,27H,13-16,18H2,1H3
InChIKeyHGRXBBQRFKMRBL-UHFFFAOYSA-N
MW483.57 g/mol
LogP3.74
Rot. Bonds7

About 3-[(2-fluorophenyl)sulfamoyl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide

3-[(2-fluorophenyl)sulfamoyl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide (PubChem CID 24516663) has the molecular formula C25H26FN3O4S and a molecular weight of 483.57 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)sulfamoyl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-[(2-fluorophenyl)sulfamoyl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
PubChem CID24516663
Molecular FormulaC25H26FN3O4S
Molecular Weight483.57 g/mol
Exact Mass483.16
IUPAC Name3-[(2-fluorophenyl)sulfamoyl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1
InChIInChI=1S/C25H26FN3O4S/c1-28(18-19-9-11-21(12-10-19)29-13-15-33-16-14-29)25(30)20-5-4-6-22(17-20)34(31,32)27-24-8-3-2-7-23(24)26/h2-12,17,27H,13-16,18H2,1H3
InChIKeyHGRXBBQRFKMRBL-UHFFFAOYSA-N
XLogP3.74
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 26973149
N-[(3-fluoro-4-methoxyphenyl)methyl]-3-[(2-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 17438125
N-[(2-bromophenyl)methyl]-3-[(2-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 30288210
N-methyl-3-(methylsulfonylmethyl)-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 26973012
N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 31661125
3-(2-fluorophenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]thiourea
CID 8530785
4-[(2-fluorophenyl)sulfamoyl]-N-(4-morpholin-4-ylphenyl)benzamide
CID 4785273
2-benzamido-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 35603946
4-(butan-2-ylsulfamoyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 42920355
N-cyclohexyl-N-cyclopropyl-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 47074499
N-[(2-fluorophenyl)methyl]-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-methylbenzamide
CID 55329281
N-[3-(dimethylamino)propyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 109064246

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)sulfamoyl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide?
The IUPAC name of 3-[(2-fluorophenyl)sulfamoyl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide (CID 24516663) is 3-[(2-fluorophenyl)sulfamoyl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide.
What is the SMILES notation for 3-[(2-fluorophenyl)sulfamoyl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide?
The canonical SMILES for 3-[(2-fluorophenyl)sulfamoyl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide is CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1.
What is the InChIKey of 3-[(2-fluorophenyl)sulfamoyl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide?
The InChIKey is HGRXBBQRFKMRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O4S/c1-28(18-19-9-11-21(12-10-19)29-13-15-33-16-14-29)25(30)20-5-4-6-22(17-20)34(31,32)27-24-8-3-2-7-23(24)26/h2-12,17,27H,13-16,18H2,1H3.
What are the key properties of 3-[(2-fluorophenyl)sulfamoyl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide?
3-[(2-fluorophenyl)sulfamoyl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide has a molecular weight of 483.57 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)sulfamoyl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide is sourced from PubChem (CID 24516663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).