N-ethyl-2-[(4-hydroxycyclohexyl)amino]benzenesulfonamide

C14H22N2O3S — CID 43454387

IUPACN-ethyl-2-[(4-hydroxycyclohexyl)amino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1NC1CCC(O)CC1
InChIInChI=1S/C14H22N2O3S/c1-2-15-20(18,19)14-6-4-3-5-13(14)16-11-7-9-12(17)10-8-11/h3-6,11-12,15-17H,2,7-10H2,1H3
InChIKeyZBSJMGVOQZGOBK-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.70
Rot. Bonds5

About N-ethyl-2-[(4-hydroxycyclohexyl)amino]benzenesulfonamide

N-ethyl-2-[(4-hydroxycyclohexyl)amino]benzenesulfonamide (PubChem CID 43454387) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-ethyl-2-[(4-hydroxycyclohexyl)amino]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-[(4-hydroxycyclohexyl)amino]benzenesulfonamide
PubChem CID43454387
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-ethyl-2-[(4-hydroxycyclohexyl)amino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1NC1CCC(O)CC1
InChIInChI=1S/C14H22N2O3S/c1-2-15-20(18,19)14-6-4-3-5-13(14)16-11-7-9-12(17)10-8-11/h3-6,11-12,15-17H,2,7-10H2,1H3
InChIKeyZBSJMGVOQZGOBK-UHFFFAOYSA-N
XLogP1.70
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-aminocyclohexyl)amino]-N-ethylbenzenesulfonamide
CID 62313487
2-[(1,1-dioxothian-4-yl)amino]-N-ethylbenzenesulfonamide
CID 43615439
N-ethyl-2-[(3-hydroxycyclobutyl)methylamino]benzenesulfonamide
CID 66007000
2-(cyclopropylamino)-N-methylbenzenesulfonamide
CID 43454291
N-cyclopropyl-2-[2-(ethylsulfamoyl)anilino]acetamide
CID 43568435
2-[(4-ethylcyclohexyl)amino]-N-methylbenzenesulfonamide
CID 43749872
N-cyclopropyl-2-(cyclopropylamino)benzenesulfonamide
CID 43454646
2-[2-(ethylsulfamoyl)anilino]cyclopentane-1-carboxylic acid
CID 64815678
N-ethyl-2-[(2-methylpiperidin-3-yl)amino]benzenesulfonamide
CID 114695395
N-cyclopropyl-2-[(4-methylcyclohexyl)amino]benzenesulfonamide
CID 43454668
N-ethyl-2-hydrazinylbenzenesulfonamide
CID 43454365
2-[(2-hydroxycyclohexyl)amino]-N-propylbenzenesulfonamide
CID 62359065

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(4-hydroxycyclohexyl)amino]benzenesulfonamide?
The IUPAC name of N-ethyl-2-[(4-hydroxycyclohexyl)amino]benzenesulfonamide (CID 43454387) is N-ethyl-2-[(4-hydroxycyclohexyl)amino]benzenesulfonamide.
What is the SMILES notation for N-ethyl-2-[(4-hydroxycyclohexyl)amino]benzenesulfonamide?
The canonical SMILES for N-ethyl-2-[(4-hydroxycyclohexyl)amino]benzenesulfonamide is CCNS(=O)(=O)c1ccccc1NC1CCC(O)CC1.
What is the InChIKey of N-ethyl-2-[(4-hydroxycyclohexyl)amino]benzenesulfonamide?
The InChIKey is ZBSJMGVOQZGOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-2-15-20(18,19)14-6-4-3-5-13(14)16-11-7-9-12(17)10-8-11/h3-6,11-12,15-17H,2,7-10H2,1H3.
What are the key properties of N-ethyl-2-[(4-hydroxycyclohexyl)amino]benzenesulfonamide?
N-ethyl-2-[(4-hydroxycyclohexyl)amino]benzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(4-hydroxycyclohexyl)amino]benzenesulfonamide is sourced from PubChem (CID 43454387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).