dipropan-2-yl 5-[(4-methylphenyl)sulfonylamino]benzene-1,3-dicarboxylate

C21H25NO6S — CID 22773030

IUPACdipropan-2-yl 5-[(4-methylphenyl)sulfonylamino]benzene-1,3-dicarboxylate
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(=O)OC(C)C)cc(C(=O)OC(C)C)c2)cc1
InChIInChI=1S/C21H25NO6S/c1-13(2)27-20(23)16-10-17(21(24)28-14(3)4)12-18(11-16)22-29(25,26)19-8-6-15(5)7-9-19/h6-14,22H,1-5H3
InChIKeyUTUPVCTUQMOLGA-UHFFFAOYSA-N
MW419.50 g/mol
LogP3.93
Rot. Bonds7

About dipropan-2-yl 5-[(4-methylphenyl)sulfonylamino]benzene-1,3-dicarboxylate

dipropan-2-yl 5-[(4-methylphenyl)sulfonylamino]benzene-1,3-dicarboxylate (PubChem CID 22773030) has the molecular formula C21H25NO6S and a molecular weight of 419.50 g/mol. Its IUPAC name is dipropan-2-yl 5-[(4-methylphenyl)sulfonylamino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedipropan-2-yl 5-[(4-methylphenyl)sulfonylamino]benzene-1,3-dicarboxylate
PubChem CID22773030
Molecular FormulaC21H25NO6S
Molecular Weight419.50 g/mol
Exact Mass419.14
IUPAC Namedipropan-2-yl 5-[(4-methylphenyl)sulfonylamino]benzene-1,3-dicarboxylate
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(=O)OC(C)C)cc(C(=O)OC(C)C)c2)cc1
InChIInChI=1S/C21H25NO6S/c1-13(2)27-20(23)16-10-17(21(24)28-14(3)4)12-18(11-16)22-29(25,26)19-8-6-15(5)7-9-19/h6-14,22H,1-5H3
InChIKeyUTUPVCTUQMOLGA-UHFFFAOYSA-N
XLogP3.93
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
dipropan-2-yl 5-[(2,5-dimethylphenyl)sulfonylamino]benzene-1,3-dicarboxylate
CID 22773045
[2-[(4-methylphenyl)sulfonylamino]-4-propan-2-yloxycarbonylphenyl]boronic acid
CID 169371721
propan-2-yl 4-[(4-acetylphenyl)sulfonylamino]benzoate
CID 7938904
dipropan-2-yl 5-[(2,4,5-trichlorophenyl)sulfonylamino]benzene-1,3-dicarboxylate
CID 22773076
propan-2-yl 4-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]benzoate
CID 71898733
diethyl 5-[(4-ethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate
CID 7938305
diethyl 5-[[4-(2-methylpropyl)phenyl]sulfonylamino]benzene-1,3-dicarboxylate
CID 22773004
dimethyl 5-[(4-fluorophenyl)sulfonylamino]benzene-1,3-dicarboxylate
CID 1050459
propan-2-yl 4-[[4-(2-methylpropyl)phenyl]sulfonylamino]benzoate
CID 22774775
dimethyl 5-[(3,4-dimethylphenyl)sulfonylamino]benzene-1,3-dicarboxylate
CID 22774942

Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl 5-[(4-methylphenyl)sulfonylamino]benzene-1,3-dicarboxylate?
The IUPAC name of dipropan-2-yl 5-[(4-methylphenyl)sulfonylamino]benzene-1,3-dicarboxylate (CID 22773030) is dipropan-2-yl 5-[(4-methylphenyl)sulfonylamino]benzene-1,3-dicarboxylate.
What is the SMILES notation for dipropan-2-yl 5-[(4-methylphenyl)sulfonylamino]benzene-1,3-dicarboxylate?
The canonical SMILES for dipropan-2-yl 5-[(4-methylphenyl)sulfonylamino]benzene-1,3-dicarboxylate is Cc1ccc(S(=O)(=O)Nc2cc(C(=O)OC(C)C)cc(C(=O)OC(C)C)c2)cc1.
What is the InChIKey of dipropan-2-yl 5-[(4-methylphenyl)sulfonylamino]benzene-1,3-dicarboxylate?
The InChIKey is UTUPVCTUQMOLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO6S/c1-13(2)27-20(23)16-10-17(21(24)28-14(3)4)12-18(11-16)22-29(25,26)19-8-6-15(5)7-9-19/h6-14,22H,1-5H3.
What are the key properties of dipropan-2-yl 5-[(4-methylphenyl)sulfonylamino]benzene-1,3-dicarboxylate?
dipropan-2-yl 5-[(4-methylphenyl)sulfonylamino]benzene-1,3-dicarboxylate has a molecular weight of 419.50 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl 5-[(4-methylphenyl)sulfonylamino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 22773030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).