N-(2-ethylcyclohexyl)-4-ethylsulfonylbenzenesulfonamide

C16H25NO4S2 — CID 60530988

IUPACN-(2-ethylcyclohexyl)-4-ethylsulfonylbenzenesulfonamide
SMILESCCC1CCCCC1NS(=O)(=O)c1ccc(S(=O)(=O)CC)cc1
InChIInChI=1S/C16H25NO4S2/c1-3-13-7-5-6-8-16(13)17-23(20,21)15-11-9-14(10-12-15)22(18,19)4-2/h9-13,16-17H,3-8H2,1-2H3
InChIKeyJAPDPTCSZJTAAA-UHFFFAOYSA-N
MW359.51 g/mol
LogP2.73
Rot. Bonds6

About N-(2-ethylcyclohexyl)-4-ethylsulfonylbenzenesulfonamide

N-(2-ethylcyclohexyl)-4-ethylsulfonylbenzenesulfonamide (PubChem CID 60530988) has the molecular formula C16H25NO4S2 and a molecular weight of 359.51 g/mol. Its IUPAC name is N-(2-ethylcyclohexyl)-4-ethylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethylcyclohexyl)-4-ethylsulfonylbenzenesulfonamide
PubChem CID60530988
Molecular FormulaC16H25NO4S2
Molecular Weight359.51 g/mol
Exact Mass359.12
IUPAC NameN-(2-ethylcyclohexyl)-4-ethylsulfonylbenzenesulfonamide
SMILESCCC1CCCCC1NS(=O)(=O)c1ccc(S(=O)(=O)CC)cc1
InChIInChI=1S/C16H25NO4S2/c1-3-13-7-5-6-8-16(13)17-23(20,21)15-11-9-14(10-12-15)22(18,19)4-2/h9-13,16-17H,3-8H2,1-2H3
InChIKeyJAPDPTCSZJTAAA-UHFFFAOYSA-N
XLogP2.73
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(ethylamino)-N-(2-ethylcyclohexyl)pyridine-3-sulfonamide
CID 62152931
2-amino-N-(2-ethylcyclohexyl)pyrimidine-5-sulfonamide
CID 62153641
2-chloro-N-(2-ethylcyclohexyl)pyridine-4-sulfonamide
CID 61051433
N-[2-(aminomethyl)cyclohexyl]-3-ethylsulfonylbenzenesulfonamide
CID 119986184
3-(aminomethyl)-N-(2-ethylcyclohexyl)-4-fluorobenzenesulfonamide
CID 63288721
4-bromo-N-[2-(bromomethyl)cyclopentyl]benzenesulfonamide
CID 106367478
N-(2-ethylcyclohexyl)-2-(methylamino)pyridine-4-sulfonamide
CID 62153282
N-[2-(bromomethyl)cyclopentyl]-4-methylbenzenesulfonamide
CID 106367542
N-[2-(bromomethyl)cyclohexyl]-4-fluorobenzenesulfonamide
CID 106367656
4-ethyl-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103835956
N-[2-(chloromethyl)cyclohexyl]benzenesulfonamide
CID 114179811
N-[2-(aminomethyl)cyclohexyl]-4-chlorobenzenesulfonamide;hydrochloride
CID 119986050

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylcyclohexyl)-4-ethylsulfonylbenzenesulfonamide?
The IUPAC name of N-(2-ethylcyclohexyl)-4-ethylsulfonylbenzenesulfonamide (CID 60530988) is N-(2-ethylcyclohexyl)-4-ethylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-(2-ethylcyclohexyl)-4-ethylsulfonylbenzenesulfonamide?
The canonical SMILES for N-(2-ethylcyclohexyl)-4-ethylsulfonylbenzenesulfonamide is CCC1CCCCC1NS(=O)(=O)c1ccc(S(=O)(=O)CC)cc1.
What is the InChIKey of N-(2-ethylcyclohexyl)-4-ethylsulfonylbenzenesulfonamide?
The InChIKey is JAPDPTCSZJTAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4S2/c1-3-13-7-5-6-8-16(13)17-23(20,21)15-11-9-14(10-12-15)22(18,19)4-2/h9-13,16-17H,3-8H2,1-2H3.
What are the key properties of N-(2-ethylcyclohexyl)-4-ethylsulfonylbenzenesulfonamide?
N-(2-ethylcyclohexyl)-4-ethylsulfonylbenzenesulfonamide has a molecular weight of 359.51 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylcyclohexyl)-4-ethylsulfonylbenzenesulfonamide is sourced from PubChem (CID 60530988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).