4-fluoro-N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]benzenesulfonamide

C17H24FN3O3S — CID 119732715

IUPAC4-fluoro-N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]benzenesulfonamide
SMILESO=C(CC1CCCN1)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H24FN3O3S/c18-13-3-5-16(6-4-13)25(23,24)20-14-7-10-21(11-8-14)17(22)12-15-2-1-9-19-15/h3-6,14-15,19-20H,1-2,7-12H2
InChIKeyGDIGRIOLKLJXFZ-UHFFFAOYSA-N
MW369.46 g/mol
LogP1.24
Rot. Bonds5

About 4-fluoro-N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]benzenesulfonamide

4-fluoro-N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]benzenesulfonamide (PubChem CID 119732715) has the molecular formula C17H24FN3O3S and a molecular weight of 369.46 g/mol. Its IUPAC name is 4-fluoro-N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]benzenesulfonamide
PubChem CID119732715
Molecular FormulaC17H24FN3O3S
Molecular Weight369.46 g/mol
Exact Mass369.15
IUPAC Name4-fluoro-N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]benzenesulfonamide
SMILESO=C(CC1CCCN1)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H24FN3O3S/c18-13-3-5-16(6-4-13)25(23,24)20-14-7-10-21(11-8-14)17(22)12-15-2-1-9-19-15/h3-6,14-15,19-20H,1-2,7-12H2
InChIKeyGDIGRIOLKLJXFZ-UHFFFAOYSA-N
XLogP1.24
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119678798
N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]propane-1-sulfonamide
CID 119732751
N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]propane-1-sulfonamide;hydrochloride
CID 119732750
N-[1-(4-aminobutanoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride
CID 119294498
ethyl 4-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945531
N-[2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-2-oxoethyl]-2-methylbutanamide
CID 55960755
N-[1-[2-(4-chlorophenyl)sulfanylacetyl]piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 34339552
N-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methylbenzenesulfonamide
CID 50823739
N-[1-[3-(4-chlorophenyl)sulfanylpropanoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 34346590
N-(4-fluorophenyl)-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride
CID 119833345
4-fluoro-N-[1-[2-[4-(trifluoromethyl)phenoxy]acetyl]piperidin-4-yl]benzenesulfonamide
CID 60511265
4-bromo-N-[1-(4-fluorobenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108563657

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]benzenesulfonamide (CID 119732715) is 4-fluoro-N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]benzenesulfonamide is O=C(CC1CCCN1)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-fluoro-N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is GDIGRIOLKLJXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O3S/c18-13-3-5-16(6-4-13)25(23,24)20-14-7-10-21(11-8-14)17(22)12-15-2-1-9-19-15/h3-6,14-15,19-20H,1-2,7-12H2.
What are the key properties of 4-fluoro-N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]benzenesulfonamide?
4-fluoro-N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]benzenesulfonamide has a molecular weight of 369.46 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 119732715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).