propan-2-yl 4-[(4-acetylphenyl)sulfonylamino]benzoate

C18H19NO5S — CID 7938904

IUPACpropan-2-yl 4-[(4-acetylphenyl)sulfonylamino]benzoate
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1
InChIInChI=1S/C18H19NO5S/c1-12(2)24-18(21)15-4-8-16(9-5-15)19-25(22,23)17-10-6-14(7-11-17)13(3)20/h4-12,19H,1-3H3
InChIKeyKWVZIWKKRGUEAH-UHFFFAOYSA-N
MW361.42 g/mol
LogP3.26
Rot. Bonds6

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

propan-2-yl 4-[(4-acetylphenyl)sulfonylamino]benzoate (PubChem CID 7938904) has the molecular formula C18H19NO5S and a molecular weight of 361.42 g/mol. Its IUPAC name is propan-2-yl 4-[(4-acetylphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-[(4-acetylphenyl)sulfonylamino]benzoate
PubChem CID7938904
Molecular FormulaC18H19NO5S
Molecular Weight361.42 g/mol
Exact Mass361.10
IUPAC Namepropan-2-yl 4-[(4-acetylphenyl)sulfonylamino]benzoate
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1
InChIInChI=1S/C18H19NO5S/c1-12(2)24-18(21)15-4-8-16(9-5-15)19-25(22,23)17-10-6-14(7-11-17)13(3)20/h4-12,19H,1-3H3
InChIKeyKWVZIWKKRGUEAH-UHFFFAOYSA-N
XLogP3.26
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 4-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]benzoate
CID 71898733
propan-2-yl 4-[[4-(2-methylpropyl)phenyl]sulfonylamino]benzoate
CID 22774775
propan-2-yl 4-[(4-cyclohexylphenyl)sulfonylamino]benzoate
CID 7938910
[1-(4-acetylanilino)-1-oxopropan-2-yl] 4-[(4-methoxyphenyl)sulfamoyl]benzoate
CID 42966975
propan-2-yl 4-acetylbenzoate
CID 10878303
propan-2-yl 4-[[2-(4-acetylanilino)-3H-benzimidazol-5-yl]sulfonylamino]benzoate
CID 90217175
propan-2-yl 4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzoate
CID 4824355
4-acetyl-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 2108389
dipropan-2-yl 5-[(4-methylphenyl)sulfonylamino]benzene-1,3-dicarboxylate
CID 22773030
[2-(methylamino)-2-oxoethyl] 4-[(4-acetylphenyl)sulfonylamino]benzoate
CID 7741002
dipropan-2-yl 5-[(4-propan-2-ylphenyl)sulfonylamino]benzene-1,3-dicarboxylate
CID 22773039
[2-(dimethylamino)-2-oxoethyl] 4-[(4-acetylphenyl)sulfonylamino]benzoate
CID 7740998

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[(4-acetylphenyl)sulfonylamino]benzoate?
The IUPAC name of propan-2-yl 4-[(4-acetylphenyl)sulfonylamino]benzoate (CID 7938904) is propan-2-yl 4-[(4-acetylphenyl)sulfonylamino]benzoate.
What is the SMILES notation for propan-2-yl 4-[(4-acetylphenyl)sulfonylamino]benzoate?
The canonical SMILES for propan-2-yl 4-[(4-acetylphenyl)sulfonylamino]benzoate is CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1.
What is the InChIKey of propan-2-yl 4-[(4-acetylphenyl)sulfonylamino]benzoate?
The InChIKey is KWVZIWKKRGUEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5S/c1-12(2)24-18(21)15-4-8-16(9-5-15)19-25(22,23)17-10-6-14(7-11-17)13(3)20/h4-12,19H,1-3H3.
What are the key properties of propan-2-yl 4-[(4-acetylphenyl)sulfonylamino]benzoate?
propan-2-yl 4-[(4-acetylphenyl)sulfonylamino]benzoate has a molecular weight of 361.42 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[(4-acetylphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 7938904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).