methyl 3-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]sulfamoyl]benzoate

C22H28N2O4S — CID 36575546

IUPACmethyl 3-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]sulfamoyl]benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)Nc2ccccc2CN(C)C2CCCCC2)c1
InChIInChI=1S/C22H28N2O4S/c1-24(19-11-4-3-5-12-19)16-18-9-6-7-14-21(18)23-29(26,27)20-13-8-10-17(15-20)22(25)28-2/h6-10,13-15,19,23H,3-5,11-12,16H2,1-2H3
InChIKeyIXOZILRITQKLJW-UHFFFAOYSA-N
MW416.54 g/mol
LogP4.04
Rot. Bonds7

About methyl 3-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]sulfamoyl]benzoate

methyl 3-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]sulfamoyl]benzoate (PubChem CID 36575546) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is methyl 3-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]sulfamoyl]benzoate
PubChem CID36575546
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Namemethyl 3-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]sulfamoyl]benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)Nc2ccccc2CN(C)C2CCCCC2)c1
InChIInChI=1S/C22H28N2O4S/c1-24(19-11-4-3-5-12-19)16-18-9-6-7-14-21(18)23-29(26,27)20-13-8-10-17(15-20)22(25)28-2/h6-10,13-15,19,23H,3-5,11-12,16H2,1-2H3
InChIKeyIXOZILRITQKLJW-UHFFFAOYSA-N
XLogP4.04
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]sulfamoyl]benzoate with MolForge

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Related Compounds

3-acetyl-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]benzenesulfonamide
CID 36575327
methyl 3-chloro-4-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]sulfamoyl]benzoate
CID 52857530
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]naphthalene-2-sulfonamide
CID 2470223
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]naphthalene-2-sulfonamide chloride
CID 53350941
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-ethoxybenzenesulfonamide
CID 36575306
4-cyano-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]benzenesulfonamide
CID 33332114
methyl 3-[(2-iodophenyl)sulfamoyl]benzoate
CID 31699712
methyl 3-[[2-(2,2,2-trifluoroethoxy)phenyl]sulfamoyl]benzoate
CID 25331588
ethyl 3-[[2-[[1-benzofuran-2-carbonyl(methyl)amino]methyl]phenyl]sulfamoyl]benzoate
CID 166324663
methyl 3-[(2-cyclopentylacetyl)sulfamoyl]benzoate
CID 51099382
N-cyclohexyl-N-cyclopropyl-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 47074499
methyl 3-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]oxymethyl]benzoate
CID 30768646

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]sulfamoyl]benzoate?
The IUPAC name of methyl 3-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]sulfamoyl]benzoate (CID 36575546) is methyl 3-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]sulfamoyl]benzoate.
What is the SMILES notation for methyl 3-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]sulfamoyl]benzoate?
The canonical SMILES for methyl 3-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]sulfamoyl]benzoate is COC(=O)c1cccc(S(=O)(=O)Nc2ccccc2CN(C)C2CCCCC2)c1.
What is the InChIKey of methyl 3-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]sulfamoyl]benzoate?
The InChIKey is IXOZILRITQKLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-24(19-11-4-3-5-12-19)16-18-9-6-7-14-21(18)23-29(26,27)20-13-8-10-17(15-20)22(25)28-2/h6-10,13-15,19,23H,3-5,11-12,16H2,1-2H3.
What are the key properties of methyl 3-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]sulfamoyl]benzoate?
methyl 3-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]sulfamoyl]benzoate has a molecular weight of 416.54 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]sulfamoyl]benzoate is sourced from PubChem (CID 36575546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).