(3S)-3-(2-chlorophenyl)-3-[(4-ethoxycarbonylphenyl)sulfonylamino]propanoate

C18H17ClNO6S- — CID 2400773

IUPAC(3S)-3-(2-chlorophenyl)-3-[(4-ethoxycarbonylphenyl)sulfonylamino]propanoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])c2ccccc2Cl)cc1
InChIInChI=1S/C18H18ClNO6S/c1-2-26-18(23)12-7-9-13(10-8-12)27(24,25)20-16(11-17(21)22)14-5-3-4-6-15(14)19/h3-10,16,20H,2,11H2,1H3,(H,21,22)/p-1/t16-/m0/s1
InChIKeyRRPHWCFWBWPEBC-INIZCTEOSA-M
MW410.86 g/mol
LogP1.68
Rot. Bonds8

About (3S)-3-(2-chlorophenyl)-3-[(4-ethoxycarbonylphenyl)sulfonylamino]propanoate

(3S)-3-(2-chlorophenyl)-3-[(4-ethoxycarbonylphenyl)sulfonylamino]propanoate (PubChem CID 2400773) has the molecular formula C18H17ClNO6S- and a molecular weight of 410.86 g/mol. Its IUPAC name is (3S)-3-(2-chlorophenyl)-3-[(4-ethoxycarbonylphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name(3S)-3-(2-chlorophenyl)-3-[(4-ethoxycarbonylphenyl)sulfonylamino]propanoate
PubChem CID2400773
Molecular FormulaC18H17ClNO6S-
Molecular Weight410.86 g/mol
Exact Mass410.05
IUPAC Name(3S)-3-(2-chlorophenyl)-3-[(4-ethoxycarbonylphenyl)sulfonylamino]propanoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])c2ccccc2Cl)cc1
InChIInChI=1S/C18H18ClNO6S/c1-2-26-18(23)12-7-9-13(10-8-12)27(24,25)20-16(11-17(21)22)14-5-3-4-6-15(14)19/h3-10,16,20H,2,11H2,1H3,(H,21,22)/p-1/t16-/m0/s1
InChIKeyRRPHWCFWBWPEBC-INIZCTEOSA-M
XLogP1.68
TPSA112.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.86
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S)-3-(2-chlorophenyl)-3-[(4-ethoxycarbonylphenyl)sulfonylamino]propanoate 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

ethyl 4-(3-methylbutan-2-ylsulfamoyl)benzoate
CID 51169036
ethyl 4-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]sulfamoyl]benzoate
CID 43064502
3-(4-ethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 3788458
ethyl 4-(benzenesulfonyl)benzoate
CID 134951764
ethyl 4-(hydrazinesulfonyl)benzoate
CID 19755145
ethyl 4-[[(S)-phenyl(thiophen-2-yl)methyl]sulfamoyl]benzoate
CID 8816031
ethyl 4-(3-aminobutylsulfamoyl)benzoate;hydrochloride
CID 119972640
(2S,3S)-2-[(4-ethoxycarbonylphenyl)sulfonylamino]-3-methylpentanoic acid
CID 119126274
ethyl 4-(1-pyridin-2-ylethylsulfamoyl)benzoate
CID 4878822
ethyl 3-(2-chlorophenyl)-3-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]propanoate
CID 4018331
(3R)-3-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]-3-phenylpropanoate
CID 6972924
ethyl 4-(1-aminopentan-2-ylsulfamoyl)benzoate
CID 65192667

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-chlorophenyl)-3-[(4-ethoxycarbonylphenyl)sulfonylamino]propanoate?
The IUPAC name of (3S)-3-(2-chlorophenyl)-3-[(4-ethoxycarbonylphenyl)sulfonylamino]propanoate (CID 2400773) is (3S)-3-(2-chlorophenyl)-3-[(4-ethoxycarbonylphenyl)sulfonylamino]propanoate.
What is the SMILES notation for (3S)-3-(2-chlorophenyl)-3-[(4-ethoxycarbonylphenyl)sulfonylamino]propanoate?
The canonical SMILES for (3S)-3-(2-chlorophenyl)-3-[(4-ethoxycarbonylphenyl)sulfonylamino]propanoate is CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])c2ccccc2Cl)cc1.
What is the InChIKey of (3S)-3-(2-chlorophenyl)-3-[(4-ethoxycarbonylphenyl)sulfonylamino]propanoate?
The InChIKey is RRPHWCFWBWPEBC-INIZCTEOSA-M. The full InChI is InChI=1S/C18H18ClNO6S/c1-2-26-18(23)12-7-9-13(10-8-12)27(24,25)20-16(11-17(21)22)14-5-3-4-6-15(14)19/h3-10,16,20H,2,11H2,1H3,(H,21,22)/p-1/t16-/m0/s1.
What are the key properties of (3S)-3-(2-chlorophenyl)-3-[(4-ethoxycarbonylphenyl)sulfonylamino]propanoate?
(3S)-3-(2-chlorophenyl)-3-[(4-ethoxycarbonylphenyl)sulfonylamino]propanoate has a molecular weight of 410.86 g/mol, XLogP of 1.68, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-chlorophenyl)-3-[(4-ethoxycarbonylphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 2400773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).