4-ethylsulfonyl-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]benzenesulfonamide

C17H28N2O4S2 — CID 51966450

IUPAC4-ethylsulfonyl-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]benzenesulfonamide
SMILESCCS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H](C)CN2CCCCC2)cc1
InChIInChI=1S/C17H28N2O4S2/c1-3-24(20,21)16-7-9-17(10-8-16)25(22,23)18-13-15(2)14-19-11-5-4-6-12-19/h7-10,15,18H,3-6,11-14H2,1-2H3/t15-/m0/s1
InChIKeyCLADXVMODPMMKM-HNNXBMFYSA-N
MW388.56 g/mol
LogP1.88
Rot. Bonds8

About 4-ethylsulfonyl-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]benzenesulfonamide

4-ethylsulfonyl-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]benzenesulfonamide (PubChem CID 51966450) has the molecular formula C17H28N2O4S2 and a molecular weight of 388.56 g/mol. Its IUPAC name is 4-ethylsulfonyl-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethylsulfonyl-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]benzenesulfonamide
PubChem CID51966450
Molecular FormulaC17H28N2O4S2
Molecular Weight388.56 g/mol
Exact Mass388.15
IUPAC Name4-ethylsulfonyl-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]benzenesulfonamide
SMILESCCS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H](C)CN2CCCCC2)cc1
InChIInChI=1S/C17H28N2O4S2/c1-3-24(20,21)16-7-9-17(10-8-16)25(22,23)18-13-15(2)14-19-11-5-4-6-12-19/h7-10,15,18H,3-6,11-14H2,1-2H3/t15-/m0/s1
InChIKeyCLADXVMODPMMKM-HNNXBMFYSA-N
XLogP1.88
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 47062275
6-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-3-sulfonamide
CID 61045800
N-(2-methyl-3-piperidin-1-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 61020791
3-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)benzenesulfonamide
CID 61060155
3-amino-4-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 115329291
4-fluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 60530804
4-chloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzenesulfonamide
CID 110440458
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1H-pyrazole-4-sulfonamide
CID 47372669
N-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 94605722
2-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 62991124
N-(2-methyl-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide
CID 61384303
2-ethylsulfonyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)aniline
CID 62994733

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]benzenesulfonamide?
The IUPAC name of 4-ethylsulfonyl-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]benzenesulfonamide (CID 51966450) is 4-ethylsulfonyl-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]benzenesulfonamide.
What is the SMILES notation for 4-ethylsulfonyl-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]benzenesulfonamide?
The canonical SMILES for 4-ethylsulfonyl-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]benzenesulfonamide is CCS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H](C)CN2CCCCC2)cc1.
What is the InChIKey of 4-ethylsulfonyl-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]benzenesulfonamide?
The InChIKey is CLADXVMODPMMKM-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H28N2O4S2/c1-3-24(20,21)16-7-9-17(10-8-16)25(22,23)18-13-15(2)14-19-11-5-4-6-12-19/h7-10,15,18H,3-6,11-14H2,1-2H3/t15-/m0/s1.
What are the key properties of 4-ethylsulfonyl-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]benzenesulfonamide?
4-ethylsulfonyl-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]benzenesulfonamide has a molecular weight of 388.56 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]benzenesulfonamide is sourced from PubChem (CID 51966450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).