4-fluoro-2-iodo-N-(4-piperidin-1-ylsulfonylphenyl)benzamide

C18H18FIN2O3S — CID 38887662

IUPAC4-fluoro-2-iodo-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(F)cc1I
InChIInChI=1S/C18H18FIN2O3S/c19-13-4-9-16(17(20)12-13)18(23)21-14-5-7-15(8-6-14)26(24,25)22-10-2-1-3-11-22/h4-9,12H,1-3,10-11H2,(H,21,23)
InChIKeyWCDTXAXCIVQHKB-UHFFFAOYSA-N
MW488.32 g/mol
LogP3.86
Rot. Bonds4

About 4-fluoro-2-iodo-N-(4-piperidin-1-ylsulfonylphenyl)benzamide

4-fluoro-2-iodo-N-(4-piperidin-1-ylsulfonylphenyl)benzamide (PubChem CID 38887662) has the molecular formula C18H18FIN2O3S and a molecular weight of 488.32 g/mol. Its IUPAC name is 4-fluoro-2-iodo-N-(4-piperidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name4-fluoro-2-iodo-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
PubChem CID38887662
Molecular FormulaC18H18FIN2O3S
Molecular Weight488.32 g/mol
Exact Mass488.01
IUPAC Name4-fluoro-2-iodo-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(F)cc1I
InChIInChI=1S/C18H18FIN2O3S/c19-13-4-9-16(17(20)12-13)18(23)21-14-5-7-15(8-6-14)26(24,25)22-10-2-1-3-11-22/h4-9,12H,1-3,10-11H2,(H,21,23)
InChIKeyWCDTXAXCIVQHKB-UHFFFAOYSA-N
XLogP3.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.32
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 1010360
N-[4-(azepan-1-ylsulfonyl)phenyl]-5-fluoro-2-methoxybenzamide
CID 31118008
N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2704882
3,5-difluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 9415065
2-fluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 1086858
2-[(4-fluorophenyl)sulfonylamino]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 2337095
N-[4-(azepan-1-ylsulfonyl)phenyl]-2,4-dichlorobenzamide
CID 1010211
6-fluoro-2-methyl-N-(4-piperidin-1-ylsulfonylphenyl)quinoline-4-carboxamide
CID 108802533
5-(azepan-1-ylsulfonyl)-N-(4-chlorophenyl)-2-fluorobenzamide
CID 4085587
N-[4-(azepan-1-ylsulfonyl)phenyl]-2,4-dimethylbenzamide
CID 26931358
4-fluoro-2-iodo-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 38920434
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-iodo-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 4-fluoro-2-iodo-N-(4-piperidin-1-ylsulfonylphenyl)benzamide (CID 38887662) is 4-fluoro-2-iodo-N-(4-piperidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 4-fluoro-2-iodo-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 4-fluoro-2-iodo-N-(4-piperidin-1-ylsulfonylphenyl)benzamide is O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(F)cc1I.
What is the InChIKey of 4-fluoro-2-iodo-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is WCDTXAXCIVQHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FIN2O3S/c19-13-4-9-16(17(20)12-13)18(23)21-14-5-7-15(8-6-14)26(24,25)22-10-2-1-3-11-22/h4-9,12H,1-3,10-11H2,(H,21,23).
What are the key properties of 4-fluoro-2-iodo-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
4-fluoro-2-iodo-N-(4-piperidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 488.32 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-iodo-N-(4-piperidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 38887662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).