3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(4-imidazol-1-ylbutyl)benzamide

C21H23FN4O3S — CID 55975766

IUPAC3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(4-imidazol-1-ylbutyl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCCCn3ccnc3)c2)cc1F
InChIInChI=1S/C21H23FN4O3S/c1-16-7-8-19(14-20(16)22)30(28,29)25-18-6-4-5-17(13-18)21(27)24-9-2-3-11-26-12-10-23-15-26/h4-8,10,12-15,25H,2-3,9,11H2,1H3,(H,24,27)
InChIKeyGFMHXYQBNLPEPU-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.34
Rot. Bonds9

About 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(4-imidazol-1-ylbutyl)benzamide

3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(4-imidazol-1-ylbutyl)benzamide (PubChem CID 55975766) has the molecular formula C21H23FN4O3S and a molecular weight of 430.51 g/mol. Its IUPAC name is 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(4-imidazol-1-ylbutyl)benzamide.

Molecular Properties

Compound Name3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(4-imidazol-1-ylbutyl)benzamide
PubChem CID55975766
Molecular FormulaC21H23FN4O3S
Molecular Weight430.51 g/mol
Exact Mass430.15
IUPAC Name3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(4-imidazol-1-ylbutyl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCCCn3ccnc3)c2)cc1F
InChIInChI=1S/C21H23FN4O3S/c1-16-7-8-19(14-20(16)22)30(28,29)25-18-6-4-5-17(13-18)21(27)24-9-2-3-11-26-12-10-23-15-26/h4-8,10,12-15,25H,2-3,9,11H2,1H3,(H,24,27)
InChIKeyGFMHXYQBNLPEPU-UHFFFAOYSA-N
XLogP3.34
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(3,4-dichlorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)benzamide
CID 35513286
3-[(3-chlorophenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)benzamide
CID 35513232
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide
CID 26593247
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 24687436
4-fluoro-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide
CID 63212783
N-(5-imidazol-1-ylpentyl)-3-methylbenzamide
CID 110441440
3-benzamido-N-(3-imidazol-1-ylpropyl)benzamide
CID 4144744
N-[3-(cyclopropylmethoxy)propyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 18228148
N-[4-(ethylcarbamoyl)phenyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 55816215
3-[(2-chlorophenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)benzamide
CID 35513235
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide
CID 9416278
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 27760804

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(4-imidazol-1-ylbutyl)benzamide?
The IUPAC name of 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(4-imidazol-1-ylbutyl)benzamide (CID 55975766) is 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(4-imidazol-1-ylbutyl)benzamide.
What is the SMILES notation for 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(4-imidazol-1-ylbutyl)benzamide?
The canonical SMILES for 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(4-imidazol-1-ylbutyl)benzamide is Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCCCn3ccnc3)c2)cc1F.
What is the InChIKey of 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(4-imidazol-1-ylbutyl)benzamide?
The InChIKey is GFMHXYQBNLPEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O3S/c1-16-7-8-19(14-20(16)22)30(28,29)25-18-6-4-5-17(13-18)21(27)24-9-2-3-11-26-12-10-23-15-26/h4-8,10,12-15,25H,2-3,9,11H2,1H3,(H,24,27).
What are the key properties of 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(4-imidazol-1-ylbutyl)benzamide?
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(4-imidazol-1-ylbutyl)benzamide has a molecular weight of 430.51 g/mol, XLogP of 3.34, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(4-imidazol-1-ylbutyl)benzamide is sourced from PubChem (CID 55975766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).