N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-4-ethylbenzenesulfonamide

C17H28N2O4S2 — CID 113065868

IUPACN-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCN(C2CCCCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H28N2O4S2/c1-3-15-9-11-17(12-10-15)25(22,23)18-13-14-19(24(2,20)21)16-7-5-4-6-8-16/h9-12,16,18H,3-8,13-14H2,1-2H3
InChIKeyDGJJTSMXTBXCMS-UHFFFAOYSA-N
MW388.56 g/mol
LogP2.12
Rot. Bonds8

About N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-4-ethylbenzenesulfonamide

N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-4-ethylbenzenesulfonamide (PubChem CID 113065868) has the molecular formula C17H28N2O4S2 and a molecular weight of 388.56 g/mol. Its IUPAC name is N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-4-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-4-ethylbenzenesulfonamide
PubChem CID113065868
Molecular FormulaC17H28N2O4S2
Molecular Weight388.56 g/mol
Exact Mass388.15
IUPAC NameN-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCN(C2CCCCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H28N2O4S2/c1-3-15-9-11-17(12-10-15)25(22,23)18-13-14-19(24(2,20)21)16-7-5-4-6-8-16/h9-12,16,18H,3-8,13-14H2,1-2H3
InChIKeyDGJJTSMXTBXCMS-UHFFFAOYSA-N
XLogP2.12
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-fluorobenzenesulfonamide
CID 113065161
N-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]-2-methylbenzenesulfonamide
CID 113065789
N-[4-[2-[cyclopropyl(methylsulfonyl)amino]ethylsulfamoyl]phenyl]acetamide
CID 113065192
2-chloro-N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]benzenesulfonamide
CID 113065880
4-(bromomethyl)-N-[2-[cyclopentyl(methyl)amino]ethyl]benzenesulfonamide
CID 65480044
N-(cyclohexylmethyl)-4-ethylbenzenesulfonamide
CID 3776153
N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-3-methylbenzenesulfonamide
CID 113065190
N-cycloheptyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113056759
4-ethyl-N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]benzenesulfonamide
CID 113068757
N-[2-(4-ethyl-N-methylsulfonylanilino)ethyl]-4-methylbenzenesulfonamide
CID 113069281
N-cyclopentyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113052852
N-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113065786

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-4-ethylbenzenesulfonamide?
The IUPAC name of N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-4-ethylbenzenesulfonamide (CID 113065868) is N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-4-ethylbenzenesulfonamide.
What is the SMILES notation for N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-4-ethylbenzenesulfonamide?
The canonical SMILES for N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-4-ethylbenzenesulfonamide is CCc1ccc(S(=O)(=O)NCCN(C2CCCCC2)S(C)(=O)=O)cc1.
What is the InChIKey of N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-4-ethylbenzenesulfonamide?
The InChIKey is DGJJTSMXTBXCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4S2/c1-3-15-9-11-17(12-10-15)25(22,23)18-13-14-19(24(2,20)21)16-7-5-4-6-8-16/h9-12,16,18H,3-8,13-14H2,1-2H3.
What are the key properties of N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-4-ethylbenzenesulfonamide?
N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-4-ethylbenzenesulfonamide has a molecular weight of 388.56 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-4-ethylbenzenesulfonamide is sourced from PubChem (CID 113065868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).