4-[(4-fluorophenyl)methylsulfamoyl]-N-(3-methoxypropyl)benzamide

C18H21FN2O4S — CID 109059819

IUPAC4-[(4-fluorophenyl)methylsulfamoyl]-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H21FN2O4S/c1-25-12-2-11-20-18(22)15-5-9-17(10-6-15)26(23,24)21-13-14-3-7-16(19)8-4-14/h3-10,21H,2,11-13H2,1H3,(H,20,22)
InChIKeyQZTQUCRZNFWSEC-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.07
Rot. Bonds9

About 4-[(4-fluorophenyl)methylsulfamoyl]-N-(3-methoxypropyl)benzamide

4-[(4-fluorophenyl)methylsulfamoyl]-N-(3-methoxypropyl)benzamide (PubChem CID 109059819) has the molecular formula C18H21FN2O4S and a molecular weight of 380.44 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methylsulfamoyl]-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methylsulfamoyl]-N-(3-methoxypropyl)benzamide
PubChem CID109059819
Molecular FormulaC18H21FN2O4S
Molecular Weight380.44 g/mol
Exact Mass380.12
IUPAC Name4-[(4-fluorophenyl)methylsulfamoyl]-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H21FN2O4S/c1-25-12-2-11-20-18(22)15-5-9-17(10-6-15)26(23,24)21-13-14-3-7-16(19)8-4-14/h3-10,21H,2,11-13H2,1H3,(H,20,22)
InChIKeyQZTQUCRZNFWSEC-UHFFFAOYSA-N
XLogP2.07
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-4-[(4-methylphenyl)methylsulfamoyl]benzamide
CID 109059815
4-[[(3-chloro-4-fluorophenyl)sulfonylamino]methyl]-N-(3-methoxypropyl)benzamide
CID 17480377
N-[(4-fluorophenyl)methyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide
CID 3311699
N-(3-butylsulfanylpropyl)-4-[[(4-fluorophenyl)sulfonylamino]methyl]benzamide
CID 20968650
4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N-(3-propan-2-yloxypropyl)benzamide
CID 20854193
4-N-[2-(4-fluorophenyl)ethyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045277
N-[(4-methoxyphenyl)methyl]-4-(3-methoxypropylsulfamoyl)benzamide
CID 109059892
N-(2-methoxyethyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109059702
N-[(4-chlorophenyl)methyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]benzamide
CID 5073710
4-[3-(dimethylamino)propylsulfamoyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 109060291
4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
CID 40718070
N-[3-(4-fluorophenoxy)propyl]-4-(methoxymethyl)benzamide
CID 60601538

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methylsulfamoyl]-N-(3-methoxypropyl)benzamide?
The IUPAC name of 4-[(4-fluorophenyl)methylsulfamoyl]-N-(3-methoxypropyl)benzamide (CID 109059819) is 4-[(4-fluorophenyl)methylsulfamoyl]-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 4-[(4-fluorophenyl)methylsulfamoyl]-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 4-[(4-fluorophenyl)methylsulfamoyl]-N-(3-methoxypropyl)benzamide is COCCCNC(=O)c1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methylsulfamoyl]-N-(3-methoxypropyl)benzamide?
The InChIKey is QZTQUCRZNFWSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4S/c1-25-12-2-11-20-18(22)15-5-9-17(10-6-15)26(23,24)21-13-14-3-7-16(19)8-4-14/h3-10,21H,2,11-13H2,1H3,(H,20,22).
What are the key properties of 4-[(4-fluorophenyl)methylsulfamoyl]-N-(3-methoxypropyl)benzamide?
4-[(4-fluorophenyl)methylsulfamoyl]-N-(3-methoxypropyl)benzamide has a molecular weight of 380.44 g/mol, XLogP of 2.07, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methylsulfamoyl]-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 109059819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).