N-[(1S,2R)-2-[benzyl(ethyl)amino]cyclohexyl]benzenesulfonamide

C21H28N2O2S — CID 92701825

IUPACN-[(1S,2R)-2-[benzyl(ethyl)amino]cyclohexyl]benzenesulfonamide
SMILESCCN(Cc1ccccc1)[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C21H28N2O2S/c1-2-23(17-18-11-5-3-6-12-18)21-16-10-9-15-20(21)22-26(24,25)19-13-7-4-8-14-19/h3-8,11-14,20-22H,2,9-10,15-17H2,1H3/t20-,21+/m0/s1
InChIKeyIZROUTVHUSDGCV-LEWJYISDSA-N
MW372.53 g/mol
LogP3.80
Rot. Bonds7

About N-[(1S,2R)-2-[benzyl(ethyl)amino]cyclohexyl]benzenesulfonamide

N-[(1S,2R)-2-[benzyl(ethyl)amino]cyclohexyl]benzenesulfonamide (PubChem CID 92701825) has the molecular formula C21H28N2O2S and a molecular weight of 372.53 g/mol. Its IUPAC name is N-[(1S,2R)-2-[benzyl(ethyl)amino]cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-[benzyl(ethyl)amino]cyclohexyl]benzenesulfonamide
PubChem CID92701825
Molecular FormulaC21H28N2O2S
Molecular Weight372.53 g/mol
Exact Mass372.19
IUPAC NameN-[(1S,2R)-2-[benzyl(ethyl)amino]cyclohexyl]benzenesulfonamide
SMILESCCN(Cc1ccccc1)[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C21H28N2O2S/c1-2-23(17-18-11-5-3-6-12-18)21-16-10-9-15-20(21)22-26(24,25)19-13-7-4-8-14-19/h3-8,11-14,20-22H,2,9-10,15-17H2,1H3/t20-,21+/m0/s1
InChIKeyIZROUTVHUSDGCV-LEWJYISDSA-N
XLogP3.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-[benzyl(ethyl)amino]cyclohexyl]benzenesulfonamide?
The IUPAC name of N-[(1S,2R)-2-[benzyl(ethyl)amino]cyclohexyl]benzenesulfonamide (CID 92701825) is N-[(1S,2R)-2-[benzyl(ethyl)amino]cyclohexyl]benzenesulfonamide.
What is the SMILES notation for N-[(1S,2R)-2-[benzyl(ethyl)amino]cyclohexyl]benzenesulfonamide?
The canonical SMILES for N-[(1S,2R)-2-[benzyl(ethyl)amino]cyclohexyl]benzenesulfonamide is CCN(Cc1ccccc1)[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(1S,2R)-2-[benzyl(ethyl)amino]cyclohexyl]benzenesulfonamide?
The InChIKey is IZROUTVHUSDGCV-LEWJYISDSA-N. The full InChI is InChI=1S/C21H28N2O2S/c1-2-23(17-18-11-5-3-6-12-18)21-16-10-9-15-20(21)22-26(24,25)19-13-7-4-8-14-19/h3-8,11-14,20-22H,2,9-10,15-17H2,1H3/t20-,21+/m0/s1.
What are the key properties of N-[(1S,2R)-2-[benzyl(ethyl)amino]cyclohexyl]benzenesulfonamide?
N-[(1S,2R)-2-[benzyl(ethyl)amino]cyclohexyl]benzenesulfonamide has a molecular weight of 372.53 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-[benzyl(ethyl)amino]cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 92701825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).