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

C22H27NO6S — CID 22773045

IUPACdipropan-2-yl 5-[(2,5-dimethylphenyl)sulfonylamino]benzene-1,3-dicarboxylate
SMILESCc1ccc(C)c(S(=O)(=O)Nc2cc(C(=O)OC(C)C)cc(C(=O)OC(C)C)c2)c1
InChIInChI=1S/C22H27NO6S/c1-13(2)28-21(24)17-10-18(22(25)29-14(3)4)12-19(11-17)23-30(26,27)20-9-15(5)7-8-16(20)6/h7-14,23H,1-6H3
InChIKeyAAEPVYMQCUYEKM-UHFFFAOYSA-N
MW433.53 g/mol
LogP4.23
Rot. Bonds7

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

dipropan-2-yl 5-[(2,5-dimethylphenyl)sulfonylamino]benzene-1,3-dicarboxylate (PubChem CID 22773045) has the molecular formula C22H27NO6S and a molecular weight of 433.53 g/mol. Its IUPAC name is dipropan-2-yl 5-[(2,5-dimethylphenyl)sulfonylamino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedipropan-2-yl 5-[(2,5-dimethylphenyl)sulfonylamino]benzene-1,3-dicarboxylate
PubChem CID22773045
Molecular FormulaC22H27NO6S
Molecular Weight433.53 g/mol
Exact Mass433.16
IUPAC Namedipropan-2-yl 5-[(2,5-dimethylphenyl)sulfonylamino]benzene-1,3-dicarboxylate
SMILESCc1ccc(C)c(S(=O)(=O)Nc2cc(C(=O)OC(C)C)cc(C(=O)OC(C)C)c2)c1
InChIInChI=1S/C22H27NO6S/c1-13(2)28-21(24)17-10-18(22(25)29-14(3)4)12-19(11-17)23-30(26,27)20-9-15(5)7-8-16(20)6/h7-14,23H,1-6H3
InChIKeyAAEPVYMQCUYEKM-UHFFFAOYSA-N
XLogP4.23
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 54.23
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-[(2,4,5-trichlorophenyl)sulfonylamino]benzene-1,3-dicarboxylate
CID 22773076
[1-(4-acetylanilino)-1-oxopropan-2-yl] 4-[(2,5-dimethylphenyl)sulfonylamino]benzoate
CID 3549447
dipropan-2-yl 5-[(4-propan-2-ylphenyl)sulfonylamino]benzene-1,3-dicarboxylate
CID 22773039
[1-(cyclohexylamino)-1-oxopropan-2-yl] 4-[(2,5-dimethylphenyl)sulfonylamino]benzoate
CID 24530569
dipropan-2-yl 5-[(4-ethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate
CID 22773036
N-(3,5-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 6467501
1,3-bis[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]urea
CID 170548873
[1-(carbamoylamino)-1-oxopropan-2-yl] 4-methyl-3-[(3-methylphenyl)sulfamoyl]benzoate
CID 16530614
methyl 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoate
CID 967558
[2-(2-methylpropylamino)-2-oxoethyl] 4-[(2,5-dimethylphenyl)sulfonylamino]benzoate
CID 2626936
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-methylbutyl)benzamide
CID 30686518

Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl 5-[(2,5-dimethylphenyl)sulfonylamino]benzene-1,3-dicarboxylate?
The IUPAC name of dipropan-2-yl 5-[(2,5-dimethylphenyl)sulfonylamino]benzene-1,3-dicarboxylate (CID 22773045) is dipropan-2-yl 5-[(2,5-dimethylphenyl)sulfonylamino]benzene-1,3-dicarboxylate.
What is the SMILES notation for dipropan-2-yl 5-[(2,5-dimethylphenyl)sulfonylamino]benzene-1,3-dicarboxylate?
The canonical SMILES for dipropan-2-yl 5-[(2,5-dimethylphenyl)sulfonylamino]benzene-1,3-dicarboxylate is Cc1ccc(C)c(S(=O)(=O)Nc2cc(C(=O)OC(C)C)cc(C(=O)OC(C)C)c2)c1.
What is the InChIKey of dipropan-2-yl 5-[(2,5-dimethylphenyl)sulfonylamino]benzene-1,3-dicarboxylate?
The InChIKey is AAEPVYMQCUYEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO6S/c1-13(2)28-21(24)17-10-18(22(25)29-14(3)4)12-19(11-17)23-30(26,27)20-9-15(5)7-8-16(20)6/h7-14,23H,1-6H3.
What are the key properties of dipropan-2-yl 5-[(2,5-dimethylphenyl)sulfonylamino]benzene-1,3-dicarboxylate?
dipropan-2-yl 5-[(2,5-dimethylphenyl)sulfonylamino]benzene-1,3-dicarboxylate has a molecular weight of 433.53 g/mol, XLogP of 4.23, 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-[(2,5-dimethylphenyl)sulfonylamino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 22773045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).