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

C22H27NO7S — CID 22773036

IUPACdipropan-2-yl 5-[(4-ethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate
SMILESCCOc1ccc(S(=O)(=O)Nc2cc(C(=O)OC(C)C)cc(C(=O)OC(C)C)c2)cc1
InChIInChI=1S/C22H27NO7S/c1-6-28-19-7-9-20(10-8-19)31(26,27)23-18-12-16(21(24)29-14(2)3)11-17(13-18)22(25)30-15(4)5/h7-15,23H,6H2,1-5H3
InChIKeyIAYNFRSBCJDASU-UHFFFAOYSA-N
MW449.53 g/mol
LogP4.02
Rot. Bonds9

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

dipropan-2-yl 5-[(4-ethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate (PubChem CID 22773036) has the molecular formula C22H27NO7S and a molecular weight of 449.53 g/mol. Its IUPAC name is dipropan-2-yl 5-[(4-ethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedipropan-2-yl 5-[(4-ethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate
PubChem CID22773036
Molecular FormulaC22H27NO7S
Molecular Weight449.53 g/mol
Exact Mass449.15
IUPAC Namedipropan-2-yl 5-[(4-ethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate
SMILESCCOc1ccc(S(=O)(=O)Nc2cc(C(=O)OC(C)C)cc(C(=O)OC(C)C)c2)cc1
InChIInChI=1S/C22H27NO7S/c1-6-28-19-7-9-20(10-8-19)31(26,27)23-18-12-16(21(24)29-14(2)3)11-17(13-18)22(25)30-15(4)5/h7-15,23H,6H2,1-5H3
InChIKeyIAYNFRSBCJDASU-UHFFFAOYSA-N
XLogP4.02
TPSA108.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

diethyl 5-[(4-ethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate
CID 7938305
dipropan-2-yl 5-[(4-methylphenyl)sulfonylamino]benzene-1,3-dicarboxylate
CID 22773030
dipropan-2-yl 5-[(4-propan-2-ylphenyl)sulfonylamino]benzene-1,3-dicarboxylate
CID 22773039
(2-amino-2-oxoethyl) 3,5-bis[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 25046962
propan-2-yl 5-[(4-ethoxyphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
CID 7013371
diethyl 5-[[4-(2-methylpropyl)phenyl]sulfonylamino]benzene-1,3-dicarboxylate
CID 22773004
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-(2-methylpropoxy)benzamide
CID 4937097
4-[(4-ethoxyphenyl)sulfonylamino]-N-pentan-2-ylbenzamide
CID 43018756
propan-2-yl 4-[(4-acetylphenyl)sulfonylamino]benzoate
CID 7938904
2-[4-[(4-ethoxyphenyl)sulfonylamino]phenoxy]acetic acid
CID 1260151
4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 4948543
4-[(4-ethoxyphenyl)sulfamoyl]-N-methyl-N-(2-methylpropyl)benzamide
CID 134063378

Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl 5-[(4-ethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate?
The IUPAC name of dipropan-2-yl 5-[(4-ethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate (CID 22773036) is dipropan-2-yl 5-[(4-ethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate.
What is the SMILES notation for dipropan-2-yl 5-[(4-ethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate?
The canonical SMILES for dipropan-2-yl 5-[(4-ethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate is CCOc1ccc(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-ethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate?
The InChIKey is IAYNFRSBCJDASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO7S/c1-6-28-19-7-9-20(10-8-19)31(26,27)23-18-12-16(21(24)29-14(2)3)11-17(13-18)22(25)30-15(4)5/h7-15,23H,6H2,1-5H3.
What are the key properties of dipropan-2-yl 5-[(4-ethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate?
dipropan-2-yl 5-[(4-ethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate has a molecular weight of 449.53 g/mol, XLogP of 4.02, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl 5-[(4-ethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 22773036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).