propan-2-yl 4-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]benzoate

C18H21NO5S — CID 71898733

IUPACpropan-2-yl 4-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]benzoate
SMILESCC(C)OC(=O)c1ccc(NS(=O)(=O)c2ccc(C(C)O)cc2)cc1
InChIInChI=1S/C18H21NO5S/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/h4-13,19-20H,1-3H3
InChIKeyLDDMAVDVQSHSLO-UHFFFAOYSA-N
MW363.44 g/mol
LogP3.11
Rot. Bonds6

About propan-2-yl 4-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]benzoate

propan-2-yl 4-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]benzoate (PubChem CID 71898733) has the molecular formula C18H21NO5S and a molecular weight of 363.44 g/mol. Its IUPAC name is propan-2-yl 4-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]benzoate
PubChem CID71898733
Molecular FormulaC18H21NO5S
Molecular Weight363.44 g/mol
Exact Mass363.11
IUPAC Namepropan-2-yl 4-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]benzoate
SMILESCC(C)OC(=O)c1ccc(NS(=O)(=O)c2ccc(C(C)O)cc2)cc1
InChIInChI=1S/C18H21NO5S/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/h4-13,19-20H,1-3H3
InChIKeyLDDMAVDVQSHSLO-UHFFFAOYSA-N
XLogP3.11
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze propan-2-yl 4-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propan-2-yl 4-[(4-acetylphenyl)sulfonylamino]benzoate
CID 7938904
propan-2-yl 4-[[4-(2-methylpropyl)phenyl]sulfonylamino]benzoate
CID 22774775
propan-2-yl 4-[(4-cyclohexylphenyl)sulfonylamino]benzoate
CID 7938910
dipropan-2-yl 5-[(4-propan-2-ylphenyl)sulfonylamino]benzene-1,3-dicarboxylate
CID 22773039
4-(1-hydroxyethyl)-N-phenylbenzenesulfonamide
CID 43507245
N-cyclopentyl-4-[[4-[(1S)-1-hydroxyethyl]phenyl]sulfonylamino]benzamide
CID 41105553
propan-2-yl 4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzoate
CID 4824355
dipropan-2-yl 5-[(4-methylphenyl)sulfonylamino]benzene-1,3-dicarboxylate
CID 22773030
4-[(4-propan-2-ylphenyl)sulfonylamino]benzoic acid
CID 7574220
[(2S)-1-amino-1-oxopropan-2-yl] 4-(phenylsulfamoyl)benzoate
CID 7985225
[(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 4-[(4-chlorophenyl)sulfamoyl]benzoate
CID 9410046
dipropan-2-yl 5-[(4-ethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate
CID 22773036

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]benzoate?
The IUPAC name of propan-2-yl 4-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]benzoate (CID 71898733) is propan-2-yl 4-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]benzoate.
What is the SMILES notation for propan-2-yl 4-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]benzoate?
The canonical SMILES for propan-2-yl 4-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]benzoate is CC(C)OC(=O)c1ccc(NS(=O)(=O)c2ccc(C(C)O)cc2)cc1.
What is the InChIKey of propan-2-yl 4-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]benzoate?
The InChIKey is LDDMAVDVQSHSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5S/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/h4-13,19-20H,1-3H3.
What are the key properties of propan-2-yl 4-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]benzoate?
propan-2-yl 4-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]benzoate has a molecular weight of 363.44 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]benzoate is sourced from PubChem (CID 71898733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).