propan-2-yl 4-[[4-(2-methylpropyl)phenyl]sulfonylamino]benzoate

C20H25NO4S — CID 22774775

IUPACpropan-2-yl 4-[[4-(2-methylpropyl)phenyl]sulfonylamino]benzoate
SMILESCC(C)Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1
InChIInChI=1S/C20H25NO4S/c1-14(2)13-16-5-11-19(12-6-16)26(23,24)21-18-9-7-17(8-10-18)20(22)25-15(3)4/h5-12,14-15,21H,13H2,1-4H3
InChIKeyAASFEUIQZKYWAC-UHFFFAOYSA-N
MW375.49 g/mol
LogP4.25
Rot. Bonds7

About propan-2-yl 4-[[4-(2-methylpropyl)phenyl]sulfonylamino]benzoate

propan-2-yl 4-[[4-(2-methylpropyl)phenyl]sulfonylamino]benzoate (PubChem CID 22774775) has the molecular formula C20H25NO4S and a molecular weight of 375.49 g/mol. Its IUPAC name is propan-2-yl 4-[[4-(2-methylpropyl)phenyl]sulfonylamino]benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-[[4-(2-methylpropyl)phenyl]sulfonylamino]benzoate
PubChem CID22774775
Molecular FormulaC20H25NO4S
Molecular Weight375.49 g/mol
Exact Mass375.15
IUPAC Namepropan-2-yl 4-[[4-(2-methylpropyl)phenyl]sulfonylamino]benzoate
SMILESCC(C)Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1
InChIInChI=1S/C20H25NO4S/c1-14(2)13-16-5-11-19(12-6-16)26(23,24)21-18-9-7-17(8-10-18)20(22)25-15(3)4/h5-12,14-15,21H,13H2,1-4H3
InChIKeyAASFEUIQZKYWAC-UHFFFAOYSA-N
XLogP4.25
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 4-[(4-acetylphenyl)sulfonylamino]benzoate
CID 7938904
propan-2-yl 4-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]benzoate
CID 71898733
propan-2-yl 4-[(4-cyclohexylphenyl)sulfonylamino]benzoate
CID 7938910
N-(4-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide
CID 22773341
methyl 4-[(4-ethylphenyl)sulfamoyl]benzoate
CID 26487109
diethyl 5-[[4-(2-methylpropyl)phenyl]sulfonylamino]benzene-1,3-dicarboxylate
CID 22773004
propan-2-yl 4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzoate
CID 4824355
dipropan-2-yl 5-[(4-methylphenyl)sulfonylamino]benzene-1,3-dicarboxylate
CID 22773030
N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-(2-methylpropyl)benzenesulfonamide
CID 22202709
2-methylpropyl 4-(benzenesulfonamido)benzoate
CID 805921
dipropan-2-yl 5-[(4-propan-2-ylphenyl)sulfonylamino]benzene-1,3-dicarboxylate
CID 22773039
dipropan-2-yl 5-[(4-ethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate
CID 22773036

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[[4-(2-methylpropyl)phenyl]sulfonylamino]benzoate?
The IUPAC name of propan-2-yl 4-[[4-(2-methylpropyl)phenyl]sulfonylamino]benzoate (CID 22774775) is propan-2-yl 4-[[4-(2-methylpropyl)phenyl]sulfonylamino]benzoate.
What is the SMILES notation for propan-2-yl 4-[[4-(2-methylpropyl)phenyl]sulfonylamino]benzoate?
The canonical SMILES for propan-2-yl 4-[[4-(2-methylpropyl)phenyl]sulfonylamino]benzoate is CC(C)Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1.
What is the InChIKey of propan-2-yl 4-[[4-(2-methylpropyl)phenyl]sulfonylamino]benzoate?
The InChIKey is AASFEUIQZKYWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4S/c1-14(2)13-16-5-11-19(12-6-16)26(23,24)21-18-9-7-17(8-10-18)20(22)25-15(3)4/h5-12,14-15,21H,13H2,1-4H3.
What are the key properties of propan-2-yl 4-[[4-(2-methylpropyl)phenyl]sulfonylamino]benzoate?
propan-2-yl 4-[[4-(2-methylpropyl)phenyl]sulfonylamino]benzoate has a molecular weight of 375.49 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[[4-(2-methylpropyl)phenyl]sulfonylamino]benzoate is sourced from PubChem (CID 22774775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).