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

C14H21NO4S — CID 124758353

IUPACN-[(1S,2R)-2-hydroxycyclohexyl]-4-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)[C@H]2CCCC[C@H]2O)cc1
InChIInChI=1S/C14H21NO4S/c1-15(13-5-3-4-6-14(13)16)20(17,18)12-9-7-11(19-2)8-10-12/h7-10,13-14,16H,3-6H2,1-2H3/t13-,14+/m0/s1
InChIKeyYJGRYXXOBIIVQU-UONOGXRCSA-N
MW299.39 g/mol
LogP1.62
Rot. Bonds4

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

N-[(1S,2R)-2-hydroxycyclohexyl]-4-methoxy-N-methylbenzenesulfonamide (PubChem CID 124758353) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is N-[(1S,2R)-2-hydroxycyclohexyl]-4-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-hydroxycyclohexyl]-4-methoxy-N-methylbenzenesulfonamide
PubChem CID124758353
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC NameN-[(1S,2R)-2-hydroxycyclohexyl]-4-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)[C@H]2CCCC[C@H]2O)cc1
InChIInChI=1S/C14H21NO4S/c1-15(13-5-3-4-6-14(13)16)20(17,18)12-9-7-11(19-2)8-10-12/h7-10,13-14,16H,3-6H2,1-2H3/t13-,14+/m0/s1
InChIKeyYJGRYXXOBIIVQU-UONOGXRCSA-N
XLogP1.62
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxycyclohexyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-methylacetamide
CID 43897751
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-N,4-dimethylbenzenesulfonamide
CID 110125865
6-chloro-N-(2-hydroxycyclohexyl)-N-methylpyridine-3-sulfonamide
CID 102631872
N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 100579283
4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 715058
N-(4-aminocyclohexyl)-4-methoxy-N-methylbenzenesulfonamide
CID 79122048
3-fluoro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide
CID 102635668
5-bromo-N-(2-hydroxycyclohexyl)-2-methoxy-N-methylbenzenesulfonamide
CID 102635646
3-chloro-4-cyano-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide
CID 102632222
N-(2-hydroxycyclohexyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide
CID 102632751
2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 43894457
cis-(1S,2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid;hydroxylamine
CID 70098521

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-hydroxycyclohexyl]-4-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of N-[(1S,2R)-2-hydroxycyclohexyl]-4-methoxy-N-methylbenzenesulfonamide (CID 124758353) is N-[(1S,2R)-2-hydroxycyclohexyl]-4-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1S,2R)-2-hydroxycyclohexyl]-4-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for N-[(1S,2R)-2-hydroxycyclohexyl]-4-methoxy-N-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)N(C)[C@H]2CCCC[C@H]2O)cc1.
What is the InChIKey of N-[(1S,2R)-2-hydroxycyclohexyl]-4-methoxy-N-methylbenzenesulfonamide?
The InChIKey is YJGRYXXOBIIVQU-UONOGXRCSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-15(13-5-3-4-6-14(13)16)20(17,18)12-9-7-11(19-2)8-10-12/h7-10,13-14,16H,3-6H2,1-2H3/t13-,14+/m0/s1.
What are the key properties of N-[(1S,2R)-2-hydroxycyclohexyl]-4-methoxy-N-methylbenzenesulfonamide?
N-[(1S,2R)-2-hydroxycyclohexyl]-4-methoxy-N-methylbenzenesulfonamide has a molecular weight of 299.39 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-hydroxycyclohexyl]-4-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 124758353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).