4-methoxy-3-[[(1R,2S)-2-methylcyclohexyl]sulfamoyl]benzoate

C15H20NO5S- — CID 2466564

IUPAC4-methoxy-3-[[(1R,2S)-2-methylcyclohexyl]sulfamoyl]benzoate
SMILESCOc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C
InChIInChI=1S/C15H21NO5S/c1-10-5-3-4-6-12(10)16-22(19,20)14-9-11(15(17)18)7-8-13(14)21-2/h7-10,12,16H,3-6H2,1-2H3,(H,17,18)/p-1/t10-,12+/m0/s1
InChIKeyNNSQNEQHZXALFZ-CMPLNLGQSA-M
MW326.39 g/mol
LogP0.92
Rot. Bonds5

About 4-methoxy-3-[[(1R,2S)-2-methylcyclohexyl]sulfamoyl]benzoate

4-methoxy-3-[[(1R,2S)-2-methylcyclohexyl]sulfamoyl]benzoate (PubChem CID 2466564) has the molecular formula C15H20NO5S- and a molecular weight of 326.39 g/mol. Its IUPAC name is 4-methoxy-3-[[(1R,2S)-2-methylcyclohexyl]sulfamoyl]benzoate.

Molecular Properties

Compound Name4-methoxy-3-[[(1R,2S)-2-methylcyclohexyl]sulfamoyl]benzoate
PubChem CID2466564
Molecular FormulaC15H20NO5S-
Molecular Weight326.39 g/mol
Exact Mass326.11
IUPAC Name4-methoxy-3-[[(1R,2S)-2-methylcyclohexyl]sulfamoyl]benzoate
SMILESCOc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C
InChIInChI=1S/C15H21NO5S/c1-10-5-3-4-6-12(10)16-22(19,20)14-9-11(15(17)18)7-8-13(14)21-2/h7-10,12,16H,3-6H2,1-2H3,(H,17,18)/p-1/t10-,12+/m0/s1
InChIKeyNNSQNEQHZXALFZ-CMPLNLGQSA-M
XLogP0.92
TPSA95.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-3-[[(1R,2S)-2-methylcyclohexyl]sulfamoyl]benzoate with MolForge

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Related Compounds

cyanomethyl 4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]benzoate
CID 46607885
4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-(2,4,6-trimethylphenyl)benzamide
CID 42997848
2,5-dimethoxy-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 768909
4-methoxy-3-[[(1S,2S)-2-methylcyclohexyl]sulfamoyl]-N-prop-2-enylbenzamide
CID 30282957
5-tert-butyl-2-methoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 39116300
5-fluoro-2-methoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 7343981
N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]benzamide
CID 42997457
N-(4-chloro-2-methoxy-5-methylphenyl)-4-methoxy-3-[[(1S,2S)-2-methylcyclohexyl]sulfamoyl]benzamide
CID 2565157
2-methoxy-N-(2-methylcyclohexyl)-5-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 46522904
2-methoxy-4,5-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 2984852
4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-(4-piperidin-1-ylphenyl)benzamide
CID 16552462
4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-(2-methyl-3-nitrophenyl)benzamide
CID 43012308

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[[(1R,2S)-2-methylcyclohexyl]sulfamoyl]benzoate?
The IUPAC name of 4-methoxy-3-[[(1R,2S)-2-methylcyclohexyl]sulfamoyl]benzoate (CID 2466564) is 4-methoxy-3-[[(1R,2S)-2-methylcyclohexyl]sulfamoyl]benzoate.
What is the SMILES notation for 4-methoxy-3-[[(1R,2S)-2-methylcyclohexyl]sulfamoyl]benzoate?
The canonical SMILES for 4-methoxy-3-[[(1R,2S)-2-methylcyclohexyl]sulfamoyl]benzoate is COc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C.
What is the InChIKey of 4-methoxy-3-[[(1R,2S)-2-methylcyclohexyl]sulfamoyl]benzoate?
The InChIKey is NNSQNEQHZXALFZ-CMPLNLGQSA-M. The full InChI is InChI=1S/C15H21NO5S/c1-10-5-3-4-6-12(10)16-22(19,20)14-9-11(15(17)18)7-8-13(14)21-2/h7-10,12,16H,3-6H2,1-2H3,(H,17,18)/p-1/t10-,12+/m0/s1.
What are the key properties of 4-methoxy-3-[[(1R,2S)-2-methylcyclohexyl]sulfamoyl]benzoate?
4-methoxy-3-[[(1R,2S)-2-methylcyclohexyl]sulfamoyl]benzoate has a molecular weight of 326.39 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[[(1R,2S)-2-methylcyclohexyl]sulfamoyl]benzoate is sourced from PubChem (CID 2466564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).