2-[(4-aminocyclohexyl)amino]-N-ethylbenzenesulfonamide

C14H23N3O2S — CID 62313487

IUPAC2-[(4-aminocyclohexyl)amino]-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1NC1CCC(N)CC1
InChIInChI=1S/C14H23N3O2S/c1-2-16-20(18,19)14-6-4-3-5-13(14)17-12-9-7-11(15)8-10-12/h3-6,11-12,16-17H,2,7-10,15H2,1H3
InChIKeyATCCJYSHSQPTSU-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.67
Rot. Bonds5

About 2-[(4-aminocyclohexyl)amino]-N-ethylbenzenesulfonamide

2-[(4-aminocyclohexyl)amino]-N-ethylbenzenesulfonamide (PubChem CID 62313487) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-[(4-aminocyclohexyl)amino]-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(4-aminocyclohexyl)amino]-N-ethylbenzenesulfonamide
PubChem CID62313487
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name2-[(4-aminocyclohexyl)amino]-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1NC1CCC(N)CC1
InChIInChI=1S/C14H23N3O2S/c1-2-16-20(18,19)14-6-4-3-5-13(14)17-12-9-7-11(15)8-10-12/h3-6,11-12,16-17H,2,7-10,15H2,1H3
InChIKeyATCCJYSHSQPTSU-UHFFFAOYSA-N
XLogP1.67
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[(4-hydroxycyclohexyl)amino]benzenesulfonamide
CID 43454387
2-[(1,1-dioxothian-4-yl)amino]-N-ethylbenzenesulfonamide
CID 43615439
2-[(4-aminocyclohexyl)amino]benzenesulfonic acid
CID 54476877
2-[(4-ethylcyclohexyl)amino]-N-methylbenzenesulfonamide
CID 43749872
2-(cyclopropylamino)-N-methylbenzenesulfonamide
CID 43454291
2-[(3-amino-2,2-dimethylcyclobutyl)amino]-N-ethylbenzenesulfonamide
CID 114632717
2-(3-aminocyclopentyl)oxy-N-ethylbenzenesulfonamide
CID 79465618
N-ethyl-2-hydrazinylbenzenesulfonamide
CID 43454365
N-cyclopropyl-2-(cyclopropylamino)benzenesulfonamide
CID 43454646
N-cyclopropyl-2-[2-(ethylsulfamoyl)anilino]acetamide
CID 43568435
N-(4-aminocyclohexyl)-2-ethylbenzenesulfonamide
CID 120708205
N-ethyl-2-[(3-hydroxycyclobutyl)methylamino]benzenesulfonamide
CID 66007000

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminocyclohexyl)amino]-N-ethylbenzenesulfonamide?
The IUPAC name of 2-[(4-aminocyclohexyl)amino]-N-ethylbenzenesulfonamide (CID 62313487) is 2-[(4-aminocyclohexyl)amino]-N-ethylbenzenesulfonamide.
What is the SMILES notation for 2-[(4-aminocyclohexyl)amino]-N-ethylbenzenesulfonamide?
The canonical SMILES for 2-[(4-aminocyclohexyl)amino]-N-ethylbenzenesulfonamide is CCNS(=O)(=O)c1ccccc1NC1CCC(N)CC1.
What is the InChIKey of 2-[(4-aminocyclohexyl)amino]-N-ethylbenzenesulfonamide?
The InChIKey is ATCCJYSHSQPTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-2-16-20(18,19)14-6-4-3-5-13(14)17-12-9-7-11(15)8-10-12/h3-6,11-12,16-17H,2,7-10,15H2,1H3.
What are the key properties of 2-[(4-aminocyclohexyl)amino]-N-ethylbenzenesulfonamide?
2-[(4-aminocyclohexyl)amino]-N-ethylbenzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminocyclohexyl)amino]-N-ethylbenzenesulfonamide is sourced from PubChem (CID 62313487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).