N-[(1R,2R)-2-[benzyl(ethyl)amino]cyclohexyl]-4-chlorobenzenesulfonamide

C21H27ClN2O2S — CID 124772278

IUPACN-[(1R,2R)-2-[benzyl(ethyl)amino]cyclohexyl]-4-chlorobenzenesulfonamide
SMILESCCN(Cc1ccccc1)[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H27ClN2O2S/c1-2-24(16-17-8-4-3-5-9-17)21-11-7-6-10-20(21)23-27(25,26)19-14-12-18(22)13-15-19/h3-5,8-9,12-15,20-21,23H,2,6-7,10-11,16H2,1H3/t20-,21-/m1/s1
InChIKeySUXNLXCDPSSYAD-NHCUHLMSSA-N
MW406.98 g/mol
LogP4.45
Rot. Bonds7

About N-[(1R,2R)-2-[benzyl(ethyl)amino]cyclohexyl]-4-chlorobenzenesulfonamide

N-[(1R,2R)-2-[benzyl(ethyl)amino]cyclohexyl]-4-chlorobenzenesulfonamide (PubChem CID 124772278) has the molecular formula C21H27ClN2O2S and a molecular weight of 406.98 g/mol. Its IUPAC name is N-[(1R,2R)-2-[benzyl(ethyl)amino]cyclohexyl]-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-[benzyl(ethyl)amino]cyclohexyl]-4-chlorobenzenesulfonamide
PubChem CID124772278
Molecular FormulaC21H27ClN2O2S
Molecular Weight406.98 g/mol
Exact Mass406.15
IUPAC NameN-[(1R,2R)-2-[benzyl(ethyl)amino]cyclohexyl]-4-chlorobenzenesulfonamide
SMILESCCN(Cc1ccccc1)[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H27ClN2O2S/c1-2-24(16-17-8-4-3-5-9-17)21-11-7-6-10-20(21)23-27(25,26)19-14-12-18(22)13-15-19/h3-5,8-9,12-15,20-21,23H,2,6-7,10-11,16H2,1H3/t20-,21-/m1/s1
InChIKeySUXNLXCDPSSYAD-NHCUHLMSSA-N
XLogP4.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.98
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-[benzyl(ethyl)amino]cyclohexyl]-4-chlorobenzenesulfonamide?
The IUPAC name of N-[(1R,2R)-2-[benzyl(ethyl)amino]cyclohexyl]-4-chlorobenzenesulfonamide (CID 124772278) is N-[(1R,2R)-2-[benzyl(ethyl)amino]cyclohexyl]-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-[(1R,2R)-2-[benzyl(ethyl)amino]cyclohexyl]-4-chlorobenzenesulfonamide?
The canonical SMILES for N-[(1R,2R)-2-[benzyl(ethyl)amino]cyclohexyl]-4-chlorobenzenesulfonamide is CCN(Cc1ccccc1)[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1R,2R)-2-[benzyl(ethyl)amino]cyclohexyl]-4-chlorobenzenesulfonamide?
The InChIKey is SUXNLXCDPSSYAD-NHCUHLMSSA-N. The full InChI is InChI=1S/C21H27ClN2O2S/c1-2-24(16-17-8-4-3-5-9-17)21-11-7-6-10-20(21)23-27(25,26)19-14-12-18(22)13-15-19/h3-5,8-9,12-15,20-21,23H,2,6-7,10-11,16H2,1H3/t20-,21-/m1/s1.
What are the key properties of N-[(1R,2R)-2-[benzyl(ethyl)amino]cyclohexyl]-4-chlorobenzenesulfonamide?
N-[(1R,2R)-2-[benzyl(ethyl)amino]cyclohexyl]-4-chlorobenzenesulfonamide has a molecular weight of 406.98 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-[benzyl(ethyl)amino]cyclohexyl]-4-chlorobenzenesulfonamide is sourced from PubChem (CID 124772278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).