4-chloro-N-[2-[4-(piperidine-1-carbonyl)phenyl]ethyl]benzenesulfonamide

C20H23ClN2O3S — CID 54037896

IUPAC4-chloro-N-[2-[4-(piperidine-1-carbonyl)phenyl]ethyl]benzenesulfonamide
SMILESO=C(c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)N1CCCCC1
InChIInChI=1S/C20H23ClN2O3S/c21-18-8-10-19(11-9-18)27(25,26)22-13-12-16-4-6-17(7-5-16)20(24)23-14-2-1-3-15-23/h4-11,22H,1-3,12-15H2
InChIKeyLKGOBSYSXHVMMS-UHFFFAOYSA-N
MW406.94 g/mol
LogP3.49
Rot. Bonds6

About 4-chloro-N-[2-[4-(piperidine-1-carbonyl)phenyl]ethyl]benzenesulfonamide

4-chloro-N-[2-[4-(piperidine-1-carbonyl)phenyl]ethyl]benzenesulfonamide (PubChem CID 54037896) has the molecular formula C20H23ClN2O3S and a molecular weight of 406.94 g/mol. Its IUPAC name is 4-chloro-N-[2-[4-(piperidine-1-carbonyl)phenyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-[4-(piperidine-1-carbonyl)phenyl]ethyl]benzenesulfonamide
PubChem CID54037896
Molecular FormulaC20H23ClN2O3S
Molecular Weight406.94 g/mol
Exact Mass406.11
IUPAC Name4-chloro-N-[2-[4-(piperidine-1-carbonyl)phenyl]ethyl]benzenesulfonamide
SMILESO=C(c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)N1CCCCC1
InChIInChI=1S/C20H23ClN2O3S/c21-18-8-10-19(11-9-18)27(25,26)22-13-12-16-4-6-17(7-5-16)20(24)23-14-2-1-3-15-23/h4-11,22H,1-3,12-15H2
InChIKeyLKGOBSYSXHVMMS-UHFFFAOYSA-N
XLogP3.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide
CID 2236890
N-benzyl-4-(piperidine-1-carbonyl)benzenesulfonamide
CID 109059407
N-pentyl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109059171
N-[3-(dimethylamino)propyl]-4-(piperidine-1-carbonyl)benzenesulfonamide
CID 109059405
N-[4-(piperidine-1-carbonyl)phenyl]-4-propylbenzenesulfonamide
CID 22203693
4-(azepane-1-carbonyl)-N-prop-2-ynylbenzenesulfonamide
CID 17466659
N-[[4-(azepane-1-carbonyl)phenyl]methyl]-3-chlorobenzenesulfonamide
CID 2213121
N-[2-(azepan-1-yl)-2-oxoethyl]-4-chlorobenzenesulfonamide
CID 112995974
3-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]propanoic acid
CID 19388113
4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzenesulfonyl chloride
CID 15166823
ethyl 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzoate
CID 12945833
4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide
CID 27799353

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[4-(piperidine-1-carbonyl)phenyl]ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-[4-(piperidine-1-carbonyl)phenyl]ethyl]benzenesulfonamide (CID 54037896) is 4-chloro-N-[2-[4-(piperidine-1-carbonyl)phenyl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-[4-(piperidine-1-carbonyl)phenyl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-[4-(piperidine-1-carbonyl)phenyl]ethyl]benzenesulfonamide is O=C(c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)N1CCCCC1.
What is the InChIKey of 4-chloro-N-[2-[4-(piperidine-1-carbonyl)phenyl]ethyl]benzenesulfonamide?
The InChIKey is LKGOBSYSXHVMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3S/c21-18-8-10-19(11-9-18)27(25,26)22-13-12-16-4-6-17(7-5-16)20(24)23-14-2-1-3-15-23/h4-11,22H,1-3,12-15H2.
What are the key properties of 4-chloro-N-[2-[4-(piperidine-1-carbonyl)phenyl]ethyl]benzenesulfonamide?
4-chloro-N-[2-[4-(piperidine-1-carbonyl)phenyl]ethyl]benzenesulfonamide has a molecular weight of 406.94 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[4-(piperidine-1-carbonyl)phenyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 54037896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).