4-[(2-fluorophenyl)sulfamoyl]-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide

C23H30FN3O3S — CID 55724828

IUPAC4-[(2-fluorophenyl)sulfamoyl]-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide
SMILESCC1CCN(CCCCNC(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)CC1
InChIInChI=1S/C23H30FN3O3S/c1-18-12-16-27(17-13-18)15-5-4-14-25-23(28)19-8-10-20(11-9-19)31(29,30)26-22-7-3-2-6-21(22)24/h2-3,6-11,18,26H,4-5,12-17H2,1H3,(H,25,28)
InChIKeyFYESRSOBSNGZFN-UHFFFAOYSA-N
MW447.58 g/mol
LogP3.87
Rot. Bonds9

About 4-[(2-fluorophenyl)sulfamoyl]-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide

4-[(2-fluorophenyl)sulfamoyl]-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide (PubChem CID 55724828) has the molecular formula C23H30FN3O3S and a molecular weight of 447.58 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)sulfamoyl]-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide.

Molecular Properties

Compound Name4-[(2-fluorophenyl)sulfamoyl]-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide
PubChem CID55724828
Molecular FormulaC23H30FN3O3S
Molecular Weight447.58 g/mol
Exact Mass447.20
IUPAC Name4-[(2-fluorophenyl)sulfamoyl]-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide
SMILESCC1CCN(CCCCNC(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)CC1
InChIInChI=1S/C23H30FN3O3S/c1-18-12-16-27(17-13-18)15-5-4-14-25-23(28)19-8-10-20(11-9-19)31(29,30)26-22-7-3-2-6-21(22)24/h2-3,6-11,18,26H,4-5,12-17H2,1H3,(H,25,28)
InChIKeyFYESRSOBSNGZFN-UHFFFAOYSA-N
XLogP3.87
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 53.87
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

4-(cyclopropylsulfamoyl)-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 18150983
4-[(2-fluorophenyl)sulfamoyl]-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 55407931
4-[(2-fluorophenyl)sulfamoyl]-N-(3-phenylpropyl)benzamide
CID 27647283
N-[2-(azepan-1-yl)ethyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 37295302
4-[3-(4-methylpiperidin-1-yl)propylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 8844139
4-[(2-fluorophenyl)sulfamoyl]-N-[3-(N-methylanilino)propyl]benzamide
CID 43017074
3-fluoro-N-[2-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]ethyl]-4-methylbenzamide
CID 24666950
N-cycloheptyl-4-[(2-fluorophenyl)sulfamoyl]benzamide
CID 71903641
3-fluoro-4-methoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 35416969
4-[(2-fluorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 24980882
4-[(2-fluorophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 37064232
4-chloro-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 166180565

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)sulfamoyl]-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide?
The IUPAC name of 4-[(2-fluorophenyl)sulfamoyl]-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide (CID 55724828) is 4-[(2-fluorophenyl)sulfamoyl]-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide.
What is the SMILES notation for 4-[(2-fluorophenyl)sulfamoyl]-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide?
The canonical SMILES for 4-[(2-fluorophenyl)sulfamoyl]-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide is CC1CCN(CCCCNC(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)CC1.
What is the InChIKey of 4-[(2-fluorophenyl)sulfamoyl]-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide?
The InChIKey is FYESRSOBSNGZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O3S/c1-18-12-16-27(17-13-18)15-5-4-14-25-23(28)19-8-10-20(11-9-19)31(29,30)26-22-7-3-2-6-21(22)24/h2-3,6-11,18,26H,4-5,12-17H2,1H3,(H,25,28).
What are the key properties of 4-[(2-fluorophenyl)sulfamoyl]-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide?
4-[(2-fluorophenyl)sulfamoyl]-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide has a molecular weight of 447.58 g/mol, XLogP of 3.87, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)sulfamoyl]-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide is sourced from PubChem (CID 55724828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).