5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methoxy-4-methylbenzenesulfonamide

C14H22N2O4S — CID 107213489

IUPAC5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methoxy-4-methylbenzenesulfonamide
SMILESCOc1cc(C)c(N)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C14H22N2O4S/c1-9-7-13(20-2)14(8-10(9)15)21(18,19)16-11-5-3-4-6-12(11)17/h7-8,11-12,16-17H,3-6,15H2,1-2H3/t11-,12-/m0/s1
InChIKeyXZRVSVCRNAOTMS-RYUDHWBXSA-N
MW314.41 g/mol
LogP1.17
Rot. Bonds4

About 5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methoxy-4-methylbenzenesulfonamide

5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methoxy-4-methylbenzenesulfonamide (PubChem CID 107213489) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methoxy-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methoxy-4-methylbenzenesulfonamide
PubChem CID107213489
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methoxy-4-methylbenzenesulfonamide
SMILESCOc1cc(C)c(N)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C14H22N2O4S/c1-9-7-13(20-2)14(8-10(9)15)21(18,19)16-11-5-3-4-6-12(11)17/h7-8,11-12,16-17H,3-6,15H2,1-2H3/t11-,12-/m0/s1
InChIKeyXZRVSVCRNAOTMS-RYUDHWBXSA-N
XLogP1.17
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(2-hydroxycyclohexyl)-2-methoxy-4-methylbenzenesulfonamide
CID 79962251
5-amino-4-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methoxybenzenesulfonamide
CID 107213517
5-amino-N-cyclobutyl-2-methoxy-4-methylbenzenesulfonamide
CID 79974645
5-amino-2-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methylbenzenesulfonamide
CID 107213615
2-methoxy-4,5-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 2984852
2-amino-N-(2-hydroxycyclohexyl)-4-methylbenzenesulfonamide
CID 55063930
5-amino-N-(3,3-dimethylcyclopentyl)-2-methoxy-4-methylbenzenesulfonamide
CID 114542964
5-amino-2-methoxy-4-methyl-N-(thiolan-3-yl)benzenesulfonamide
CID 103062286
5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbenzenesulfonamide
CID 107213448
5-amino-2,4-difluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213623
N-[2-(aminomethyl)cyclohexyl]-5-bromo-2-methoxy-4-methylbenzenesulfonamide
CID 119986113
5-amino-2-methoxy-4-methyl-N-(thian-2-ylmethyl)benzenesulfonamide
CID 80594961

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methoxy-4-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methoxy-4-methylbenzenesulfonamide (CID 107213489) is 5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methoxy-4-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methoxy-4-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methoxy-4-methylbenzenesulfonamide is COc1cc(C)c(N)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1O.
What is the InChIKey of 5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methoxy-4-methylbenzenesulfonamide?
The InChIKey is XZRVSVCRNAOTMS-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-9-7-13(20-2)14(8-10(9)15)21(18,19)16-11-5-3-4-6-12(11)17/h7-8,11-12,16-17H,3-6,15H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of 5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methoxy-4-methylbenzenesulfonamide?
5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methoxy-4-methylbenzenesulfonamide has a molecular weight of 314.41 g/mol, XLogP of 1.17, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methoxy-4-methylbenzenesulfonamide is sourced from PubChem (CID 107213489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).