6-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dimethylbenzenesulfonamide

C14H22N2O3S — CID 107213458

IUPAC6-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dimethylbenzenesulfonamide
SMILESCc1ccc(N)c(S(=O)(=O)N[C@H]2CCCC[C@@H]2O)c1C
InChIInChI=1S/C14H22N2O3S/c1-9-7-8-11(15)14(10(9)2)20(18,19)16-12-5-3-4-6-13(12)17/h7-8,12-13,16-17H,3-6,15H2,1-2H3/t12-,13-/m0/s1
InChIKeySLRAFMCPRVPOQN-STQMWFEESA-N
MW298.41 g/mol
LogP1.47
Rot. Bonds3

About 6-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dimethylbenzenesulfonamide

6-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dimethylbenzenesulfonamide (PubChem CID 107213458) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 6-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name6-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dimethylbenzenesulfonamide
PubChem CID107213458
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name6-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dimethylbenzenesulfonamide
SMILESCc1ccc(N)c(S(=O)(=O)N[C@H]2CCCC[C@@H]2O)c1C
InChIInChI=1S/C14H22N2O3S/c1-9-7-8-11(15)14(10(9)2)20(18,19)16-12-5-3-4-6-13(12)17/h7-8,12-13,16-17H,3-6,15H2,1-2H3/t12-,13-/m0/s1
InChIKeySLRAFMCPRVPOQN-STQMWFEESA-N
XLogP1.47
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dimethylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2,5,6-trimethylbenzenesulfonamide
CID 107213471
5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbenzenesulfonamide
CID 107213448
N-[(1S,2S)-2-hydroxycyclohexyl]-2,4,6-trimethylbenzenesulfonamide
CID 104953218
6-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,3-dimethylbenzenesulfonamide
CID 114628511
2-amino-N-(2-hydroxycyclohexyl)-4-methylbenzenesulfonamide
CID 55063930
3-amino-N-(2-ethylcyclohexyl)-2,6-dimethylbenzenesulfonamide
CID 61466577
6-amino-2,3-dimethyl-N-(oxan-3-yl)benzenesulfonamide
CID 63360421
N-(2-hydroxycyclohexyl)-2,5-dimethylbenzenesulfonamide
CID 55064031
5-amino-2-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methylbenzenesulfonamide
CID 107213615
2-amino-4,6-dibromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213586
3-amino-4-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-5-methylbenzenesulfonamide
CID 107213453
N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylsulfonylbenzenesulfonamide
CID 104953140

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dimethylbenzenesulfonamide?
The IUPAC name of 6-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dimethylbenzenesulfonamide (CID 107213458) is 6-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 6-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for 6-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dimethylbenzenesulfonamide is Cc1ccc(N)c(S(=O)(=O)N[C@H]2CCCC[C@@H]2O)c1C.
What is the InChIKey of 6-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dimethylbenzenesulfonamide?
The InChIKey is SLRAFMCPRVPOQN-STQMWFEESA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-9-7-8-11(15)14(10(9)2)20(18,19)16-12-5-3-4-6-13(12)17/h7-8,12-13,16-17H,3-6,15H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of 6-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dimethylbenzenesulfonamide?
6-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dimethylbenzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.47, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 107213458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).