5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbenzenesulfonamide

C13H20N2O3S — CID 107213448

IUPAC5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C13H20N2O3S/c1-9-6-7-10(14)8-13(9)19(17,18)15-11-4-2-3-5-12(11)16/h6-8,11-12,15-16H,2-5,14H2,1H3/t11-,12-/m0/s1
InChIKeyAYEXKKIWELMWCR-RYUDHWBXSA-N
MW284.38 g/mol
LogP1.16
Rot. Bonds3

About 5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbenzenesulfonamide

5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbenzenesulfonamide (PubChem CID 107213448) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbenzenesulfonamide
PubChem CID107213448
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C13H20N2O3S/c1-9-6-7-10(14)8-13(9)19(17,18)15-11-4-2-3-5-12(11)16/h6-8,11-12,15-16H,2-5,14H2,1H3/t11-,12-/m0/s1
InChIKeyAYEXKKIWELMWCR-RYUDHWBXSA-N
XLogP1.16
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.16
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

N-(2-hydroxycyclohexyl)-2,5-dimethylbenzenesulfonamide
CID 55064031
5-amino-2-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213608
4-amino-2-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213542
2-amino-N-(2-hydroxycyclohexyl)-4-methylbenzenesulfonamide
CID 55063930
5-amino-2-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methylbenzenesulfonamide
CID 107213615
6-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dimethylbenzenesulfonamide
CID 107213458
5-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylbenzenesulfonamide
CID 43101359
5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methoxy-4-methylbenzenesulfonamide
CID 107213489
4-amino-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide
CID 106358885
5-amino-N-(2-hydroxycyclohexyl)-2-methoxy-4-methylbenzenesulfonamide
CID 79962251
4-[(2-hydroxycyclohexyl)sulfamoyl]-3-methylbenzenecarbothioamide
CID 106998093
5-amino-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide
CID 80715264

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbenzenesulfonamide (CID 107213448) is 5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbenzenesulfonamide is Cc1ccc(N)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1O.
What is the InChIKey of 5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbenzenesulfonamide?
The InChIKey is AYEXKKIWELMWCR-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-9-6-7-10(14)8-13(9)19(17,18)15-11-4-2-3-5-12(11)16/h6-8,11-12,15-16H,2-5,14H2,1H3/t11-,12-/m0/s1.
What are the key properties of 5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbenzenesulfonamide?
5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbenzenesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 107213448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).