4-(difluoromethylsulfonyl)-N-(3-phenylpropyl)benzamide

C17H17F2NO3S — CID 2446042

IUPAC4-(difluoromethylsulfonyl)-N-(3-phenylpropyl)benzamide
SMILESO=C(NCCCc1ccccc1)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C17H17F2NO3S/c18-17(19)24(22,23)15-10-8-14(9-11-15)16(21)20-12-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-11,17H,4,7,12H2,(H,20,21)
InChIKeyNHXADHBMYYXDAV-UHFFFAOYSA-N
MW353.39 g/mol
LogP3.05
Rot. Bonds7

About 4-(difluoromethylsulfonyl)-N-(3-phenylpropyl)benzamide

4-(difluoromethylsulfonyl)-N-(3-phenylpropyl)benzamide (PubChem CID 2446042) has the molecular formula C17H17F2NO3S and a molecular weight of 353.39 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-(3-phenylpropyl)benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-(3-phenylpropyl)benzamide
PubChem CID2446042
Molecular FormulaC17H17F2NO3S
Molecular Weight353.39 g/mol
Exact Mass353.09
IUPAC Name4-(difluoromethylsulfonyl)-N-(3-phenylpropyl)benzamide
SMILESO=C(NCCCc1ccccc1)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C17H17F2NO3S/c18-17(19)24(22,23)15-10-8-14(9-11-15)16(21)20-12-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-11,17H,4,7,12H2,(H,20,21)
InChIKeyNHXADHBMYYXDAV-UHFFFAOYSA-N
XLogP3.05
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-fluorophenyl)sulfamoyl]-N-(3-phenylpropyl)benzamide
CID 27647283
methyl 4-[[4-(difluoromethylsulfonyl)benzoyl]amino]butanoate
CID 9404633
4-amino-N-(3-phenylpropyl)benzamide
CID 10658614
4-(hydroxyamino)-N-(3-phenylpropyl)benzamide
CID 87991193
(2R)-2-[[4-(difluoromethylsulfonyl)benzoyl]amino]-3-phenylpropanoic acid
CID 9292250
(2S)-2-[[4-(difluoromethylsulfonyl)benzoyl]amino]-3-phenylpropanoic acid
CID 9292248
methyl 4-(3-phenylpropylcarbamoyl)benzoate
CID 27646995
5-[[4-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19928149
4-N-[(2-fluorophenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 109047171
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
4-(difluoromethylsulfonyl)-N-(3-phenylprop-2-ynyl)benzamide
CID 51326569
4-[methyl(phenyl)sulfamoyl]-N-(4-phenylbutyl)benzamide
CID 18207252

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-(3-phenylpropyl)benzamide?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-(3-phenylpropyl)benzamide (CID 2446042) is 4-(difluoromethylsulfonyl)-N-(3-phenylpropyl)benzamide.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-(3-phenylpropyl)benzamide?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-(3-phenylpropyl)benzamide is O=C(NCCCc1ccccc1)c1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-(3-phenylpropyl)benzamide?
The InChIKey is NHXADHBMYYXDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO3S/c18-17(19)24(22,23)15-10-8-14(9-11-15)16(21)20-12-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-11,17H,4,7,12H2,(H,20,21).
What are the key properties of 4-(difluoromethylsulfonyl)-N-(3-phenylpropyl)benzamide?
4-(difluoromethylsulfonyl)-N-(3-phenylpropyl)benzamide has a molecular weight of 353.39 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-(3-phenylpropyl)benzamide is sourced from PubChem (CID 2446042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).