methyl 1-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylate

C15H21NO5S — CID 22907072

IUPACmethyl 1-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NS(=O)(=O)c2ccc(OC)cc2)CCCCC1
InChIInChI=1S/C15H21NO5S/c1-20-12-6-8-13(9-7-12)22(18,19)16-15(14(17)21-2)10-4-3-5-11-15/h6-9,16H,3-5,10-11H2,1-2H3
InChIKeyUHKJZNAJYZNMIO-UHFFFAOYSA-N
MW327.40 g/mol
LogP1.85
Rot. Bonds5

About methyl 1-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylate

methyl 1-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylate (PubChem CID 22907072) has the molecular formula C15H21NO5S and a molecular weight of 327.40 g/mol. Its IUPAC name is methyl 1-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylate
PubChem CID22907072
Molecular FormulaC15H21NO5S
Molecular Weight327.40 g/mol
Exact Mass327.11
IUPAC Namemethyl 1-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NS(=O)(=O)c2ccc(OC)cc2)CCCCC1
InChIInChI=1S/C15H21NO5S/c1-20-12-6-8-13(9-7-12)22(18,19)16-15(14(17)21-2)10-4-3-5-11-15/h6-9,16H,3-5,10-11H2,1-2H3
InChIKeyUHKJZNAJYZNMIO-UHFFFAOYSA-N
XLogP1.85
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 1-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylate 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

1-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 974157
methyl 1-(4-methoxyanilino)cyclohexane-1-carboxylate
CID 54890159
ethyl 1-[(4-cyanophenyl)sulfonylamino]cyclohexane-1-carboxylate
CID 60539774
1-[(4-phenoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 18679369
3-[(4-methoxyphenyl)sulfonylamino]oxolane-3-carboxylic acid
CID 64888281
methyl 1-[(5-chlorothiophen-2-yl)sulfonylamino]cyclohexane-1-carboxylate
CID 31854379
1-[[4-(2-methylphenoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
CID 44669131
methyl 1-[2-(4-methoxyphenoxy)propanoylamino]cyclohexane-1-carboxylate
CID 46515245
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzenesulfonamide
CID 110292626
1-(4-methoxyanilino)cyclohexane-1-carboxylate
CID 7018136
1-[(4-chlorophenyl)sulfonylamino]cyclohexane-1-carboxylate
CID 4252683
N-[1-(3,5-dichlorobenzoyl)cyclohexyl]-4-methylbenzenesulfonamide
CID 10387732

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylate (CID 22907072) is methyl 1-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylate is COC(=O)C1(NS(=O)(=O)c2ccc(OC)cc2)CCCCC1.
What is the InChIKey of methyl 1-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylate?
The InChIKey is UHKJZNAJYZNMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5S/c1-20-12-6-8-13(9-7-12)22(18,19)16-15(14(17)21-2)10-4-3-5-11-15/h6-9,16H,3-5,10-11H2,1-2H3.
What are the key properties of methyl 1-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylate?
methyl 1-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylate has a molecular weight of 327.40 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylate is sourced from PubChem (CID 22907072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).