N-(3-butoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide

C20H25FN2O4S — CID 27683058

IUPACN-(3-butoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
SMILESCCCCOCCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H25FN2O4S/c1-2-3-14-27-15-4-13-22-20(24)16-5-9-18(10-6-16)23-28(25,26)19-11-7-17(21)8-12-19/h5-12,23H,2-4,13-15H2,1H3,(H,22,24)
InChIKeyNYDDDNFEXKLDKR-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.56
Rot. Bonds11

About N-(3-butoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide

N-(3-butoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide (PubChem CID 27683058) has the molecular formula C20H25FN2O4S and a molecular weight of 408.50 g/mol. Its IUPAC name is N-(3-butoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
PubChem CID27683058
Molecular FormulaC20H25FN2O4S
Molecular Weight408.50 g/mol
Exact Mass408.15
IUPAC NameN-(3-butoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
SMILESCCCCOCCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H25FN2O4S/c1-2-3-14-27-15-4-13-22-20(24)16-5-9-18(10-6-16)23-28(25,26)19-11-7-17(21)8-12-19/h5-12,23H,2-4,13-15H2,1H3,(H,22,24)
InChIKeyNYDDDNFEXKLDKR-UHFFFAOYSA-N
XLogP3.56
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.56
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-ethoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 17477773
N-[3-(dimethylamino)propyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 109060264
N-butyl-4-[(4-ethylphenyl)sulfamoyl]benzamide
CID 109058620
4-[(4-fluorophenyl)sulfonylamino]-N-(2-phenoxyethyl)benzamide
CID 27758316
N-butyl-4-(phenylsulfamoyl)benzamide
CID 18106255
N-[2-(4-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 9164370
N-hexyl-4-(phenylsulfamoyl)benzamide
CID 32646547
3-[(4-fluorophenyl)sulfamoyl]-N-pentylbenzamide
CID 7964289
4-chloro-N-(3-ethoxypropyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 24540699
4-[(2-fluorophenyl)sulfamoyl]-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 55407931
4-[(4-fluorophenyl)sulfonylamino]-N-heptan-2-ylbenzamide
CID 43019430
4-[(4-methoxyphenyl)sulfamoyl]-N-[3-(methylamino)propyl]benzamide
CID 119431352

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide?
The IUPAC name of N-(3-butoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide (CID 27683058) is N-(3-butoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(3-butoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(3-butoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide is CCCCOCCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-(3-butoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide?
The InChIKey is NYDDDNFEXKLDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O4S/c1-2-3-14-27-15-4-13-22-20(24)16-5-9-18(10-6-16)23-28(25,26)19-11-7-17(21)8-12-19/h5-12,23H,2-4,13-15H2,1H3,(H,22,24).
What are the key properties of N-(3-butoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide?
N-(3-butoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide has a molecular weight of 408.50 g/mol, XLogP of 3.56, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 27683058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).