3-amino-4-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide

C14H22N2O3S — CID 107213563

IUPAC3-amino-4-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2O)cc1N
InChIInChI=1S/C14H22N2O3S/c1-2-10-7-8-11(9-12(10)15)20(18,19)16-13-5-3-4-6-14(13)17/h7-9,13-14,16-17H,2-6,15H2,1H3/t13-,14-/m1/s1
InChIKeyARKNBIDMEQBOBW-ZIAGYGMSSA-N
MW298.41 g/mol
LogP1.41
Rot. Bonds4

About 3-amino-4-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide

3-amino-4-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide (PubChem CID 107213563) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-amino-4-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
PubChem CID107213563
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name3-amino-4-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2O)cc1N
InChIInChI=1S/C14H22N2O3S/c1-2-10-7-8-11(9-12(10)15)20(18,19)16-13-5-3-4-6-14(13)17/h7-9,13-14,16-17H,2-6,15H2,1H3/t13-,14-/m1/s1
InChIKeyARKNBIDMEQBOBW-ZIAGYGMSSA-N
XLogP1.41
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-bromo-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 115329229
3-amino-N-cycloheptyl-4-ethylbenzenesulfonamide
CID 43258911
5-amino-2-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213608
3-amino-4-ethyl-N-(4-hydroxycyclohexyl)benzenesulfonamide
CID 43257259
4-amino-3-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 82844106
4-amino-3-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213611
N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylsulfonylbenzenesulfonamide
CID 104953140
4-(ethylamino)-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 62360398
3-amino-N-(cyclopentylmethyl)-4-ethylbenzenesulfonamide
CID 43370862
3-amino-4-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-5-methylbenzenesulfonamide
CID 107213453
3-amino-4-ethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide
CID 80714763
3-bromo-4-chloro-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 106546192

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide?
The IUPAC name of 3-amino-4-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide (CID 107213563) is 3-amino-4-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-4-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide?
The canonical SMILES for 3-amino-4-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide is CCc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2O)cc1N.
What is the InChIKey of 3-amino-4-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide?
The InChIKey is ARKNBIDMEQBOBW-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-2-10-7-8-11(9-12(10)15)20(18,19)16-13-5-3-4-6-14(13)17/h7-9,13-14,16-17H,2-6,15H2,1H3/t13-,14-/m1/s1.
What are the key properties of 3-amino-4-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide?
3-amino-4-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide is sourced from PubChem (CID 107213563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).