N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-4-methoxybenzenesulfonamide

C14H21NO5S — CID 110125489

IUPACN-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H](OC)[C@@H]2O)cc1
InChIInChI=1S/C14H21NO5S/c1-19-10-6-8-11(9-7-10)21(17,18)15-12-4-3-5-13(20-2)14(12)16/h6-9,12-16H,3-5H2,1-2H3/t12-,13-,14-/m1/s1
InChIKeyVKRZEXXZSBAEPF-MGPQQGTHSA-N
MW315.39 g/mol
LogP0.90
Rot. Bonds5

About N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-4-methoxybenzenesulfonamide

N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-4-methoxybenzenesulfonamide (PubChem CID 110125489) has the molecular formula C14H21NO5S and a molecular weight of 315.39 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-4-methoxybenzenesulfonamide
PubChem CID110125489
Molecular FormulaC14H21NO5S
Molecular Weight315.39 g/mol
Exact Mass315.11
IUPAC NameN-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H](OC)[C@@H]2O)cc1
InChIInChI=1S/C14H21NO5S/c1-19-10-6-8-11(9-7-10)21(17,18)15-12-4-3-5-13(20-2)14(12)16/h6-9,12-16H,3-5H2,1-2H3/t12-,13-,14-/m1/s1
InChIKeyVKRZEXXZSBAEPF-MGPQQGTHSA-N
XLogP0.90
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[(1S,2S)-2-[(4-methoxyphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
CID 101075407
4-N-(2-methoxycyclopentyl)benzene-1,4-disulfonamide
CID 62088805
N-[2-(aminomethyl)cyclopentyl]-4-methoxybenzenesulfonamide;hydrochloride
CID 119985790
N-[2-(4-methoxyanilino)cyclohexyl]-4-methylbenzenesulfonamide
CID 23604885
N-[(1R,2S,3R)-3-methoxy-2-phenylcyclohexyl]-4-methylbenzenesulfonamide
CID 101495725
N-cyclopropyl-4-[(2-methoxycyclopentyl)amino]benzenesulfonamide
CID 62087885
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 110125536
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-4-methylbenzenesulfonamide
CID 110125809
N-[(1R,2R,3S)-3-amino-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 126691146
N-[(1R,2R)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide
CID 11230584
3-chloro-4-(hydroxymethyl)-N-(2-methoxycyclopentyl)benzenesulfonamide
CID 107090747
N-(2-methoxycyclopentyl)-6-(methylamino)pyridine-3-sulfonamide
CID 62146356

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-4-methoxybenzenesulfonamide (CID 110125489) is N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H](OC)[C@@H]2O)cc1.
What is the InChIKey of N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-4-methoxybenzenesulfonamide?
The InChIKey is VKRZEXXZSBAEPF-MGPQQGTHSA-N. The full InChI is InChI=1S/C14H21NO5S/c1-19-10-6-8-11(9-7-10)21(17,18)15-12-4-3-5-13(20-2)14(12)16/h6-9,12-16H,3-5H2,1-2H3/t12-,13-,14-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-4-methoxybenzenesulfonamide?
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-4-methoxybenzenesulfonamide has a molecular weight of 315.39 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 110125489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).