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

C23H29NO6S — CID 22773039

IUPACdipropan-2-yl 5-[(4-propan-2-ylphenyl)sulfonylamino]benzene-1,3-dicarboxylate
SMILESCC(C)OC(=O)c1cc(NS(=O)(=O)c2ccc(C(C)C)cc2)cc(C(=O)OC(C)C)c1
InChIInChI=1S/C23H29NO6S/c1-14(2)17-7-9-21(10-8-17)31(27,28)24-20-12-18(22(25)29-15(3)4)11-19(13-20)23(26)30-16(5)6/h7-16,24H,1-6H3
InChIKeyCFYRULBSRYXAJN-UHFFFAOYSA-N
MW447.55 g/mol
LogP4.74
Rot. Bonds8

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

dipropan-2-yl 5-[(4-propan-2-ylphenyl)sulfonylamino]benzene-1,3-dicarboxylate (PubChem CID 22773039) has the molecular formula C23H29NO6S and a molecular weight of 447.55 g/mol. Its IUPAC name is dipropan-2-yl 5-[(4-propan-2-ylphenyl)sulfonylamino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedipropan-2-yl 5-[(4-propan-2-ylphenyl)sulfonylamino]benzene-1,3-dicarboxylate
PubChem CID22773039
Molecular FormulaC23H29NO6S
Molecular Weight447.55 g/mol
Exact Mass447.17
IUPAC Namedipropan-2-yl 5-[(4-propan-2-ylphenyl)sulfonylamino]benzene-1,3-dicarboxylate
SMILESCC(C)OC(=O)c1cc(NS(=O)(=O)c2ccc(C(C)C)cc2)cc(C(=O)OC(C)C)c1
InChIInChI=1S/C23H29NO6S/c1-14(2)17-7-9-21(10-8-17)31(27,28)24-20-12-18(22(25)29-15(3)4)11-19(13-20)23(26)30-16(5)6/h7-16,24H,1-6H3
InChIKeyCFYRULBSRYXAJN-UHFFFAOYSA-N
XLogP4.74
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.55
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

dipropan-2-yl 5-[(4-methylphenyl)sulfonylamino]benzene-1,3-dicarboxylate
CID 22773030
dipropan-2-yl 5-[(4-ethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate
CID 22773036
propan-2-yl 4-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]benzoate
CID 71898733
dipropan-2-yl 5-[(2,4,5-trichlorophenyl)sulfonylamino]benzene-1,3-dicarboxylate
CID 22773076
propan-2-yl 4-[(4-acetylphenyl)sulfonylamino]benzoate
CID 7938904
3-[(4-propan-2-ylphenyl)sulfonylamino]benzamide
CID 18084674
dipropan-2-yl 5-[(2,5-dimethylphenyl)sulfonylamino]benzene-1,3-dicarboxylate
CID 22773045
ethyl 3-[(4-propan-2-ylphenyl)sulfonylamino]benzoate
CID 8823779
4-[(4-propan-2-ylphenyl)sulfonylamino]benzoic acid
CID 7574220
dimethyl 5-[(4-fluorophenyl)sulfonylamino]benzene-1,3-dicarboxylate
CID 1050459
propan-2-yl 4-[[4-(2-methylpropyl)phenyl]sulfonylamino]benzoate
CID 22774775
propan-2-yl 3-[(4-chlorophenyl)sulfamoyl]benzoate
CID 43056299

Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl 5-[(4-propan-2-ylphenyl)sulfonylamino]benzene-1,3-dicarboxylate?
The IUPAC name of dipropan-2-yl 5-[(4-propan-2-ylphenyl)sulfonylamino]benzene-1,3-dicarboxylate (CID 22773039) is dipropan-2-yl 5-[(4-propan-2-ylphenyl)sulfonylamino]benzene-1,3-dicarboxylate.
What is the SMILES notation for dipropan-2-yl 5-[(4-propan-2-ylphenyl)sulfonylamino]benzene-1,3-dicarboxylate?
The canonical SMILES for dipropan-2-yl 5-[(4-propan-2-ylphenyl)sulfonylamino]benzene-1,3-dicarboxylate is CC(C)OC(=O)c1cc(NS(=O)(=O)c2ccc(C(C)C)cc2)cc(C(=O)OC(C)C)c1.
What is the InChIKey of dipropan-2-yl 5-[(4-propan-2-ylphenyl)sulfonylamino]benzene-1,3-dicarboxylate?
The InChIKey is CFYRULBSRYXAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO6S/c1-14(2)17-7-9-21(10-8-17)31(27,28)24-20-12-18(22(25)29-15(3)4)11-19(13-20)23(26)30-16(5)6/h7-16,24H,1-6H3.
What are the key properties of dipropan-2-yl 5-[(4-propan-2-ylphenyl)sulfonylamino]benzene-1,3-dicarboxylate?
dipropan-2-yl 5-[(4-propan-2-ylphenyl)sulfonylamino]benzene-1,3-dicarboxylate has a molecular weight of 447.55 g/mol, XLogP of 4.74, 8 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-propan-2-ylphenyl)sulfonylamino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 22773039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).