N-(4-fluoro-2-iodophenyl)piperidine-1-sulfonamide

C11H14FIN2O2S — CID 79766739

IUPACN-(4-fluoro-2-iodophenyl)piperidine-1-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1I)N1CCCCC1
InChIInChI=1S/C11H14FIN2O2S/c12-9-4-5-11(10(13)8-9)14-18(16,17)15-6-2-1-3-7-15/h4-5,8,14H,1-3,6-7H2
InChIKeyNBMUQKJPAINQNO-UHFFFAOYSA-N
MW384.21 g/mol
LogP2.57
Rot. Bonds3

About N-(4-fluoro-2-iodophenyl)piperidine-1-sulfonamide

N-(4-fluoro-2-iodophenyl)piperidine-1-sulfonamide (PubChem CID 79766739) has the molecular formula C11H14FIN2O2S and a molecular weight of 384.21 g/mol. Its IUPAC name is N-(4-fluoro-2-iodophenyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(4-fluoro-2-iodophenyl)piperidine-1-sulfonamide
PubChem CID79766739
Molecular FormulaC11H14FIN2O2S
Molecular Weight384.21 g/mol
Exact Mass383.98
IUPAC NameN-(4-fluoro-2-iodophenyl)piperidine-1-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1I)N1CCCCC1
InChIInChI=1S/C11H14FIN2O2S/c12-9-4-5-11(10(13)8-9)14-18(16,17)15-6-2-1-3-7-15/h4-5,8,14H,1-3,6-7H2
InChIKeyNBMUQKJPAINQNO-UHFFFAOYSA-N
XLogP2.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.21
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-4-fluorophenyl)pyrrolidine-1-sulfonamide
CID 28939191
N-(2,6-difluoro-3-pyridinyl)piperidine-1-sulfonamide
CID 103098209
2-(azepan-1-ylsulfonylamino)-5-iodobenzoic acid
CID 63111221
N-(4-fluoro-2-iodophenyl)-2-methylpropane-2-sulfonamide
CID 79767137
3,4-difluoro-N-(4-fluoro-2-iodophenyl)benzenesulfonamide
CID 79766974
N-[4-amino-2-(trifluoromethyl)phenyl]piperidine-1-sulfonamide
CID 43550644
4-fluoro-2-iodo-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 38887662
2-(4-fluoro-2-iodoanilino)-1-piperidin-1-ylpropan-1-one
CID 79768419
N-(5-amino-2,4-difluorophenyl)pyrrolidine-1-sulfonamide
CID 43550963
N-(4-fluoro-2-iodophenyl)-1-methylsulfonylmethanesulfonamide
CID 82843139
N-(5-bromo-4-fluoro-2-methylphenyl)piperidine-1-sulfonamide
CID 107592686
N-(4-chloro-2-iodophenyl)-3-methylpiperidine-1-sulfonamide
CID 107640819

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-iodophenyl)piperidine-1-sulfonamide?
The IUPAC name of N-(4-fluoro-2-iodophenyl)piperidine-1-sulfonamide (CID 79766739) is N-(4-fluoro-2-iodophenyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(4-fluoro-2-iodophenyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(4-fluoro-2-iodophenyl)piperidine-1-sulfonamide is O=S(=O)(Nc1ccc(F)cc1I)N1CCCCC1.
What is the InChIKey of N-(4-fluoro-2-iodophenyl)piperidine-1-sulfonamide?
The InChIKey is NBMUQKJPAINQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FIN2O2S/c12-9-4-5-11(10(13)8-9)14-18(16,17)15-6-2-1-3-7-15/h4-5,8,14H,1-3,6-7H2.
What are the key properties of N-(4-fluoro-2-iodophenyl)piperidine-1-sulfonamide?
N-(4-fluoro-2-iodophenyl)piperidine-1-sulfonamide has a molecular weight of 384.21 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-iodophenyl)piperidine-1-sulfonamide is sourced from PubChem (CID 79766739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).