4-[(2-fluorophenyl)sulfamoyl]-N-(3-phenylpropyl)benzamide

C22H21FN2O3S — CID 27647283

IUPAC4-[(2-fluorophenyl)sulfamoyl]-N-(3-phenylpropyl)benzamide
SMILESO=C(NCCCc1ccccc1)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C22H21FN2O3S/c23-20-10-4-5-11-21(20)25-29(27,28)19-14-12-18(13-15-19)22(26)24-16-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-15,25H,6,9,16H2,(H,24,26)
InChIKeyWPKGMZSSEHWQRQ-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.99
Rot. Bonds8

About 4-[(2-fluorophenyl)sulfamoyl]-N-(3-phenylpropyl)benzamide

4-[(2-fluorophenyl)sulfamoyl]-N-(3-phenylpropyl)benzamide (PubChem CID 27647283) has the molecular formula C22H21FN2O3S and a molecular weight of 412.49 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)sulfamoyl]-N-(3-phenylpropyl)benzamide.

Molecular Properties

Compound Name4-[(2-fluorophenyl)sulfamoyl]-N-(3-phenylpropyl)benzamide
PubChem CID27647283
Molecular FormulaC22H21FN2O3S
Molecular Weight412.49 g/mol
Exact Mass412.13
IUPAC Name4-[(2-fluorophenyl)sulfamoyl]-N-(3-phenylpropyl)benzamide
SMILESO=C(NCCCc1ccccc1)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C22H21FN2O3S/c23-20-10-4-5-11-21(20)25-29(27,28)19-14-12-18(13-15-19)22(26)24-16-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-15,25H,6,9,16H2,(H,24,26)
InChIKeyWPKGMZSSEHWQRQ-UHFFFAOYSA-N
XLogP3.99
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.99
H-Bond Donors ≤ 52
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-(N-methylanilino)propyl]benzamide
CID 43017074
4-[(2-fluorophenyl)sulfamoyl]-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 55407931
4-[(2-fluorophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 37064232
3-fluoro-N-[2-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]ethyl]-4-methylbenzamide
CID 24666950
4-(difluoromethylsulfonyl)-N-(3-phenylpropyl)benzamide
CID 2446042
4-[(2-fluorophenyl)sulfamoyl]-N-(furan-3-ylmethyl)benzamide
CID 55700083
4-[(2-fluorophenyl)sulfamoyl]-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide
CID 55724828
4-N-[(2-fluorophenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 109047171
N-[2-(4-fluorophenyl)ethyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26796078
4-[(2-fluorophenyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide
CID 46651101
5-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]pentanoic acid
CID 119234754
N-cycloheptyl-4-[(2-fluorophenyl)sulfamoyl]benzamide
CID 71903641

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)sulfamoyl]-N-(3-phenylpropyl)benzamide?
The IUPAC name of 4-[(2-fluorophenyl)sulfamoyl]-N-(3-phenylpropyl)benzamide (CID 27647283) is 4-[(2-fluorophenyl)sulfamoyl]-N-(3-phenylpropyl)benzamide.
What is the SMILES notation for 4-[(2-fluorophenyl)sulfamoyl]-N-(3-phenylpropyl)benzamide?
The canonical SMILES for 4-[(2-fluorophenyl)sulfamoyl]-N-(3-phenylpropyl)benzamide is O=C(NCCCc1ccccc1)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1.
What is the InChIKey of 4-[(2-fluorophenyl)sulfamoyl]-N-(3-phenylpropyl)benzamide?
The InChIKey is WPKGMZSSEHWQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3S/c23-20-10-4-5-11-21(20)25-29(27,28)19-14-12-18(13-15-19)22(26)24-16-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-15,25H,6,9,16H2,(H,24,26).
What are the key properties of 4-[(2-fluorophenyl)sulfamoyl]-N-(3-phenylpropyl)benzamide?
4-[(2-fluorophenyl)sulfamoyl]-N-(3-phenylpropyl)benzamide has a molecular weight of 412.49 g/mol, XLogP of 3.99, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)sulfamoyl]-N-(3-phenylpropyl)benzamide is sourced from PubChem (CID 27647283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).