N-[1-(2-fluorobenzoyl)piperidin-4-yl]propane-1-sulfonamide

C15H21FN2O3S — CID 38820857

IUPACN-[1-(2-fluorobenzoyl)piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C15H21FN2O3S/c1-2-11-22(20,21)17-12-7-9-18(10-8-12)15(19)13-5-3-4-6-14(13)16/h3-6,12,17H,2,7-11H2,1H3
InChIKeyCXMSQRUPQKRBSJ-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.76
Rot. Bonds5

About N-[1-(2-fluorobenzoyl)piperidin-4-yl]propane-1-sulfonamide

N-[1-(2-fluorobenzoyl)piperidin-4-yl]propane-1-sulfonamide (PubChem CID 38820857) has the molecular formula C15H21FN2O3S and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[1-(2-fluorobenzoyl)piperidin-4-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(2-fluorobenzoyl)piperidin-4-yl]propane-1-sulfonamide
PubChem CID38820857
Molecular FormulaC15H21FN2O3S
Molecular Weight328.41 g/mol
Exact Mass328.13
IUPAC NameN-[1-(2-fluorobenzoyl)piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C15H21FN2O3S/c1-2-11-22(20,21)17-12-7-9-18(10-8-12)15(19)13-5-3-4-6-14(13)16/h3-6,12,17H,2,7-11H2,1H3
InChIKeyCXMSQRUPQKRBSJ-UHFFFAOYSA-N
XLogP1.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-aminobenzoyl)piperidin-4-yl]propane-1-sulfonamide
CID 119944714
4-ethyl-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108563623
N-[1-(2-iodobenzoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108563963
N-[1-(2-methoxybenzoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108563568
N-[1-(2-bromobenzoyl)piperidin-4-yl]ethanesulfonamide
CID 60767390
N-[1-[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperidin-4-yl]propane-1-sulfonamide
CID 34353910
N-[1-(4-fluoro-3-methyl-1-benzothiophene-2-carbonyl)piperidin-4-yl]propane-1-sulfonamide
CID 34351330
4-bromo-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108563627
N-(2-fluorophenyl)-3-(propylsulfonylamino)pyrrolidine-1-carboxamide
CID 51108800
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 55702827
N-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]propane-1-sulfonamide
CID 55655273
N-[1-(2-methoxy-5-methylbenzoyl)piperidin-4-yl]propane-1-sulfonamide
CID 55655211

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorobenzoyl)piperidin-4-yl]propane-1-sulfonamide?
The IUPAC name of N-[1-(2-fluorobenzoyl)piperidin-4-yl]propane-1-sulfonamide (CID 38820857) is N-[1-(2-fluorobenzoyl)piperidin-4-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[1-(2-fluorobenzoyl)piperidin-4-yl]propane-1-sulfonamide?
The canonical SMILES for N-[1-(2-fluorobenzoyl)piperidin-4-yl]propane-1-sulfonamide is CCCS(=O)(=O)NC1CCN(C(=O)c2ccccc2F)CC1.
What is the InChIKey of N-[1-(2-fluorobenzoyl)piperidin-4-yl]propane-1-sulfonamide?
The InChIKey is CXMSQRUPQKRBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3S/c1-2-11-22(20,21)17-12-7-9-18(10-8-12)15(19)13-5-3-4-6-14(13)16/h3-6,12,17H,2,7-11H2,1H3.
What are the key properties of N-[1-(2-fluorobenzoyl)piperidin-4-yl]propane-1-sulfonamide?
N-[1-(2-fluorobenzoyl)piperidin-4-yl]propane-1-sulfonamide has a molecular weight of 328.41 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorobenzoyl)piperidin-4-yl]propane-1-sulfonamide is sourced from PubChem (CID 38820857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).