4-chloro-N-(2-methyl-2-piperidin-1-ylpropyl)benzenesulfonamide

C15H23ClN2O2S — CID 2325556

IUPAC4-chloro-N-(2-methyl-2-piperidin-1-ylpropyl)benzenesulfonamide
SMILESCC(C)(CNS(=O)(=O)c1ccc(Cl)cc1)N1CCCCC1
InChIInChI=1S/C15H23ClN2O2S/c1-15(2,18-10-4-3-5-11-18)12-17-21(19,20)14-8-6-13(16)7-9-14/h6-9,17H,3-5,10-12H2,1-2H3
InChIKeyUDNXIXXEWZYNCP-UHFFFAOYSA-N
MW330.88 g/mol
LogP2.88
Rot. Bonds5

About 4-chloro-N-(2-methyl-2-piperidin-1-ylpropyl)benzenesulfonamide

4-chloro-N-(2-methyl-2-piperidin-1-ylpropyl)benzenesulfonamide (PubChem CID 2325556) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is 4-chloro-N-(2-methyl-2-piperidin-1-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-methyl-2-piperidin-1-ylpropyl)benzenesulfonamide
PubChem CID2325556
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC Name4-chloro-N-(2-methyl-2-piperidin-1-ylpropyl)benzenesulfonamide
SMILESCC(C)(CNS(=O)(=O)c1ccc(Cl)cc1)N1CCCCC1
InChIInChI=1S/C15H23ClN2O2S/c1-15(2,18-10-4-3-5-11-18)12-17-21(19,20)14-8-6-13(16)7-9-14/h6-9,17H,3-5,10-12H2,1-2H3
InChIKeyUDNXIXXEWZYNCP-UHFFFAOYSA-N
XLogP2.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Chlorobenzenesulfonyl)piperazine
CID 801806
4-Chloro-N-cyclopropyl-N-piperidin-4-ylbenzenesulfonamide
CID 2735724
1-(4-Chlorophenyl)sulfonyl-4-methylpiperazine
CID 754318
4-Chloro-N-methyl-N-(1-methyl-piperidin-4-yl)-benzenesulfonamide
CID 1129292
Benzenesulfonamide, p-chloro-N-(2-diethylaminoethyl)-
CID 208542
N,N-Dibutyl-4-chlorobenzenesulfonamide
CID 31385
1-[(4-Chlorophenyl)sulfonyl]-3-methylpiperidine
CID 2842964
4-Chloro-N-(4-methyl-piperazin-1-yl)-benzenesulfonamide
CID 785891
4-chloro-N-methyl-N-[2-oxo-2-(piperidin-1-yl)ethyl]benzenesulfonamide
CID 804119
4-chloro-N-[1-(dipropylamino)-2-methylpropan-2-yl]benzenesulfonamide
CID 2314574
4-chloro-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 4104699
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-chlorobenzenesulfonamide
CID 16289690

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methyl-2-piperidin-1-ylpropyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-methyl-2-piperidin-1-ylpropyl)benzenesulfonamide (CID 2325556) is 4-chloro-N-(2-methyl-2-piperidin-1-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-methyl-2-piperidin-1-ylpropyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-methyl-2-piperidin-1-ylpropyl)benzenesulfonamide is CC(C)(CNS(=O)(=O)c1ccc(Cl)cc1)N1CCCCC1.
What is the InChIKey of 4-chloro-N-(2-methyl-2-piperidin-1-ylpropyl)benzenesulfonamide?
The InChIKey is UDNXIXXEWZYNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2S/c1-15(2,18-10-4-3-5-11-18)12-17-21(19,20)14-8-6-13(16)7-9-14/h6-9,17H,3-5,10-12H2,1-2H3.
What are the key properties of 4-chloro-N-(2-methyl-2-piperidin-1-ylpropyl)benzenesulfonamide?
4-chloro-N-(2-methyl-2-piperidin-1-ylpropyl)benzenesulfonamide has a molecular weight of 330.88 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methyl-2-piperidin-1-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 2325556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).