5-amino-2-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methylbenzenesulfonamide

C13H19ClN2O3S — CID 107213615

IUPAC5-amino-2-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methylbenzenesulfonamide
SMILESCc1cc(Cl)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2O)cc1N
InChIInChI=1S/C13H19ClN2O3S/c1-8-6-9(14)13(7-10(8)15)20(18,19)16-11-4-2-3-5-12(11)17/h6-7,11-12,16-17H,2-5,15H2,1H3/t11-,12-/m1/s1
InChIKeyGAKBMGWUMHHWSW-VXGBXAGGSA-N
MW318.83 g/mol
LogP1.81
Rot. Bonds3

About 5-amino-2-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methylbenzenesulfonamide

5-amino-2-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methylbenzenesulfonamide (PubChem CID 107213615) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is 5-amino-2-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methylbenzenesulfonamide
PubChem CID107213615
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name5-amino-2-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methylbenzenesulfonamide
SMILESCc1cc(Cl)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2O)cc1N
InChIInChI=1S/C13H19ClN2O3S/c1-8-6-9(14)13(7-10(8)15)20(18,19)16-11-4-2-3-5-12(11)17/h6-7,11-12,16-17H,2-5,15H2,1H3/t11-,12-/m1/s1
InChIKeyGAKBMGWUMHHWSW-VXGBXAGGSA-N
XLogP1.81
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-2-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methylbenzenesulfonamide 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

5-amino-2-chloro-4-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 62366150
5-amino-2-chloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzenesulfonamide
CID 106358815
5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methoxy-4-methylbenzenesulfonamide
CID 107213489
5-amino-N-(2-hydroxycyclohexyl)-2-methoxy-4-methylbenzenesulfonamide
CID 79962251
2-amino-N-(2-hydroxycyclohexyl)-4-methylbenzenesulfonamide
CID 55063930
3-amino-4-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-5-methylbenzenesulfonamide
CID 107213453
5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbenzenesulfonamide
CID 107213448
5-amino-2,4-difluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213623
5-amino-3-chloro-2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213485
3-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2,5,6-trimethylbenzenesulfonamide
CID 107213471
N-(2-hydroxycyclohexyl)-2,5-dimethylbenzenesulfonamide
CID 55064031
5-amino-4-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methoxybenzenesulfonamide
CID 107213517

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methylbenzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methylbenzenesulfonamide (CID 107213615) is 5-amino-2-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methylbenzenesulfonamide is Cc1cc(Cl)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2O)cc1N.
What is the InChIKey of 5-amino-2-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methylbenzenesulfonamide?
The InChIKey is GAKBMGWUMHHWSW-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-8-6-9(14)13(7-10(8)15)20(18,19)16-11-4-2-3-5-12(11)17/h6-7,11-12,16-17H,2-5,15H2,1H3/t11-,12-/m1/s1.
What are the key properties of 5-amino-2-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methylbenzenesulfonamide?
5-amino-2-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methylbenzenesulfonamide has a molecular weight of 318.83 g/mol, XLogP of 1.81, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 107213615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).