4-chloro-N-[(1R,2R)-2-piperidin-1-ium-1-ylcyclohexyl]benzenesulfonamide

C17H26ClN2O2S+ — CID 6972183

IUPAC4-chloro-N-[(1R,2R)-2-piperidin-1-ium-1-ylcyclohexyl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H]1CCCC[C@H]1[NH+]1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H25ClN2O2S/c18-14-8-10-15(11-9-14)23(21,22)19-16-6-2-3-7-17(16)20-12-4-1-5-13-20/h8-11,16-17,19H,1-7,12-13H2/p+1/t16-,17-/m1/s1
InChIKeyPMWATPIHTAPIBJ-IAGOWNOFSA-O
MW357.93 g/mol
LogP2.00
Rot. Bonds4

About 4-chloro-N-[(1R,2R)-2-piperidin-1-ium-1-ylcyclohexyl]benzenesulfonamide

4-chloro-N-[(1R,2R)-2-piperidin-1-ium-1-ylcyclohexyl]benzenesulfonamide (PubChem CID 6972183) has the molecular formula C17H26ClN2O2S+ and a molecular weight of 357.93 g/mol. Its IUPAC name is 4-chloro-N-[(1R,2R)-2-piperidin-1-ium-1-ylcyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(1R,2R)-2-piperidin-1-ium-1-ylcyclohexyl]benzenesulfonamide
PubChem CID6972183
Molecular FormulaC17H26ClN2O2S+
Molecular Weight357.93 g/mol
Exact Mass357.14
IUPAC Name4-chloro-N-[(1R,2R)-2-piperidin-1-ium-1-ylcyclohexyl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H]1CCCC[C@H]1[NH+]1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H25ClN2O2S/c18-14-8-10-15(11-9-14)23(21,22)19-16-6-2-3-7-17(16)20-12-4-1-5-13-20/h8-11,16-17,19H,1-7,12-13H2/p+1/t16-,17-/m1/s1
InChIKeyPMWATPIHTAPIBJ-IAGOWNOFSA-O
XLogP2.00
TPSA50.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.93
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-chloro-N-[(1R,2R)-2-piperidin-1-ium-1-ylcyclohexyl]benzenesulfonamide with MolForge

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Related Compounds

2-[(4-chlorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid
CID 22019722
N-[2-(aminomethyl)cyclohexyl]-4-chlorobenzenesulfonamide;hydrochloride
CID 119986050
4-chloro-N-(2-phenoxycyclohexyl)benzenesulfonamide
CID 2912969
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-chlorobenzenesulfonamide
CID 98084772
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-chlorobenzenesulfonamide
CID 50898130
N-(2-bicyclo[2.2.1]heptanyl)-4-chlorobenzenesulfonamide
CID 2894402
4-chloro-N-[(1S,2R)-2-morpholin-4-ylcyclohexyl]benzenesulfonamide
CID 1167612
4-chloro-N-(2-phenylsulfanylcyclohexyl)benzenesulfonamide
CID 2975041
4-chloro-N-(2-piperazin-1-ylcyclohexyl)benzenesulfonamide
CID 3148616
4-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
CID 2975212
4-methoxy-N-[(1S,2S)-2-[(4-methoxyphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
CID 101075407
4-chloro-N-[2-(4-ethoxy-N-methylanilino)cyclohexyl]benzenesulfonamide
CID 23604974

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1R,2R)-2-piperidin-1-ium-1-ylcyclohexyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(1R,2R)-2-piperidin-1-ium-1-ylcyclohexyl]benzenesulfonamide (CID 6972183) is 4-chloro-N-[(1R,2R)-2-piperidin-1-ium-1-ylcyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(1R,2R)-2-piperidin-1-ium-1-ylcyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(1R,2R)-2-piperidin-1-ium-1-ylcyclohexyl]benzenesulfonamide is O=S(=O)(N[C@@H]1CCCC[C@H]1[NH+]1CCCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(1R,2R)-2-piperidin-1-ium-1-ylcyclohexyl]benzenesulfonamide?
The InChIKey is PMWATPIHTAPIBJ-IAGOWNOFSA-O. The full InChI is InChI=1S/C17H25ClN2O2S/c18-14-8-10-15(11-9-14)23(21,22)19-16-6-2-3-7-17(16)20-12-4-1-5-13-20/h8-11,16-17,19H,1-7,12-13H2/p+1/t16-,17-/m1/s1.
What are the key properties of 4-chloro-N-[(1R,2R)-2-piperidin-1-ium-1-ylcyclohexyl]benzenesulfonamide?
4-chloro-N-[(1R,2R)-2-piperidin-1-ium-1-ylcyclohexyl]benzenesulfonamide has a molecular weight of 357.93 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1R,2R)-2-piperidin-1-ium-1-ylcyclohexyl]benzenesulfonamide is sourced from PubChem (CID 6972183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).