4-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide

C14H19ClN2O3S — CID 2236890

IUPAC4-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Cl)cc1)N1CCCCC1
InChIInChI=1S/C14H19ClN2O3S/c15-12-4-6-13(7-5-12)21(19,20)16-9-8-14(18)17-10-2-1-3-11-17/h4-7,16H,1-3,8-11H2
InChIKeyJNZGZROFOASEBT-UHFFFAOYSA-N
MW330.84 g/mol
LogP2.02
Rot. Bonds5

About 4-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide

4-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide (PubChem CID 2236890) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is 4-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide
PubChem CID2236890
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC Name4-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Cl)cc1)N1CCCCC1
InChIInChI=1S/C14H19ClN2O3S/c15-12-4-6-13(7-5-12)21(19,20)16-9-8-14(18)17-10-2-1-3-11-17/h4-7,16H,1-3,8-11H2
InChIKeyJNZGZROFOASEBT-UHFFFAOYSA-N
XLogP2.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide
CID 2242336
N-[3-(azepan-1-yl)-3-oxopropyl]-4-methylbenzenesulfonamide
CID 9314922
N-[2-(azepan-1-yl)-2-oxoethyl]-4-chlorobenzenesulfonamide
CID 112995974
4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 17154059
4-nitro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 17192841
4-methoxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 5083215
N-(3-oxo-3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 27658627
N-[3-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-oxopropyl]-4-chlorobenzenesulfonamide
CID 9294726
4-chloro-N-[2-[4-(piperidine-1-carbonyl)phenyl]ethyl]benzenesulfonamide
CID 54037896
4-chloro-N-[3-oxo-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propyl]benzenesulfonamide
CID 24643461
4-chloro-N-[3-oxo-3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propyl]benzenesulfonamide
CID 24548002
3,4-difluoro-N-[3-(4-methyl-1,4-diazepan-1-yl)-3-oxopropyl]benzenesulfonamide
CID 78785614

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide (CID 2236890) is 4-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide is O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)N1CCCCC1.
What is the InChIKey of 4-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide?
The InChIKey is JNZGZROFOASEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3S/c15-12-4-6-13(7-5-12)21(19,20)16-9-8-14(18)17-10-2-1-3-11-17/h4-7,16H,1-3,8-11H2.
What are the key properties of 4-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide?
4-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide has a molecular weight of 330.84 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 2236890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).