N-[2-(azepan-1-yl)-2-oxoethyl]-4-fluorobenzenesulfonamide

C14H19FN2O3S — CID 894307

IUPACN-[2-(azepan-1-yl)-2-oxoethyl]-4-fluorobenzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc(F)cc1)N1CCCCCC1
InChIInChI=1S/C14H19FN2O3S/c15-12-5-7-13(8-6-12)21(19,20)16-11-14(18)17-9-3-1-2-4-10-17/h5-8,16H,1-4,9-11H2
InChIKeyPZDRFEKABCVZIG-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.51
Rot. Bonds4

About N-[2-(azepan-1-yl)-2-oxoethyl]-4-fluorobenzenesulfonamide

N-[2-(azepan-1-yl)-2-oxoethyl]-4-fluorobenzenesulfonamide (PubChem CID 894307) has the molecular formula C14H19FN2O3S and a molecular weight of 314.38 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-oxoethyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-oxoethyl]-4-fluorobenzenesulfonamide
PubChem CID894307
Molecular FormulaC14H19FN2O3S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC NameN-[2-(azepan-1-yl)-2-oxoethyl]-4-fluorobenzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc(F)cc1)N1CCCCCC1
InChIInChI=1S/C14H19FN2O3S/c15-12-5-7-13(8-6-12)21(19,20)16-11-14(18)17-9-3-1-2-4-10-17/h5-8,16H,1-4,9-11H2
InChIKeyPZDRFEKABCVZIG-UHFFFAOYSA-N
XLogP1.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(azepan-1-yl)-2-oxoethyl]-4-chlorobenzenesulfonamide
CID 112995974
4-bromo-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 1006492
4-(2-oxopiperidin-1-yl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 110312144
2-[(4-methylphenyl)sulfonylamino]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 9035264
4-bromo-3-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 39668245
2-chloro-5-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]benzoic acid
CID 110712522
4-cyclopentyloxy-3-fluoro-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 110312227
4-fluoro-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide
CID 93417335
4-chloro-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 112990867
2-[(4-fluorophenyl)sulfonylamino]acetate
CID 3258763
N-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-4-(trifluoromethoxy)benzenesulfonamide;hydrochloride
CID 119415385
2,3-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 39668267

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-4-fluorobenzenesulfonamide (CID 894307) is N-[2-(azepan-1-yl)-2-oxoethyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-oxoethyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-oxoethyl]-4-fluorobenzenesulfonamide is O=C(CNS(=O)(=O)c1ccc(F)cc1)N1CCCCCC1.
What is the InChIKey of N-[2-(azepan-1-yl)-2-oxoethyl]-4-fluorobenzenesulfonamide?
The InChIKey is PZDRFEKABCVZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3S/c15-12-5-7-13(8-6-12)21(19,20)16-11-14(18)17-9-3-1-2-4-10-17/h5-8,16H,1-4,9-11H2.
What are the key properties of N-[2-(azepan-1-yl)-2-oxoethyl]-4-fluorobenzenesulfonamide?
N-[2-(azepan-1-yl)-2-oxoethyl]-4-fluorobenzenesulfonamide has a molecular weight of 314.38 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)-2-oxoethyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 894307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).