ethyl 3-[(2,5-dichloro-4-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate

C19H21Cl2NO6S — CID 3952917

IUPACethyl 3-[(2,5-dichloro-4-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate
SMILESCCOC(=O)CC(NS(=O)(=O)c1cc(Cl)c(OC)cc1Cl)c1ccc(OC)cc1
InChIInChI=1S/C19H21Cl2NO6S/c1-4-28-19(23)11-16(12-5-7-13(26-2)8-6-12)22-29(24,25)18-10-14(20)17(27-3)9-15(18)21/h5-10,16,22H,4,11H2,1-3H3
InChIKeySIGHSYVLPMUNOU-UHFFFAOYSA-N
MW462.35 g/mol
LogP3.98
Rot. Bonds9

About ethyl 3-[(2,5-dichloro-4-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate

ethyl 3-[(2,5-dichloro-4-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate (PubChem CID 3952917) has the molecular formula C19H21Cl2NO6S and a molecular weight of 462.35 g/mol. Its IUPAC name is ethyl 3-[(2,5-dichloro-4-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 3-[(2,5-dichloro-4-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate
PubChem CID3952917
Molecular FormulaC19H21Cl2NO6S
Molecular Weight462.35 g/mol
Exact Mass461.05
IUPAC Nameethyl 3-[(2,5-dichloro-4-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate
SMILESCCOC(=O)CC(NS(=O)(=O)c1cc(Cl)c(OC)cc1Cl)c1ccc(OC)cc1
InChIInChI=1S/C19H21Cl2NO6S/c1-4-28-19(23)11-16(12-5-7-13(26-2)8-6-12)22-29(24,25)18-10-14(20)17(27-3)9-15(18)21/h5-10,16,22H,4,11H2,1-3H3
InChIKeySIGHSYVLPMUNOU-UHFFFAOYSA-N
XLogP3.98
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.35
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 3-[(2,5-dichloro-4-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)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 3-[(4-chloro-3-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate
CID 3631613
ethyl (3R)-3-[(3,4-dichloro-2-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate
CID 40850106
ethyl (3R)-3-[(2,5-diethoxyphenyl)sulfonylamino]-3-(4-methylphenyl)propanoate
CID 41092589
ethyl 3-(2-chlorophenyl)-3-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]propanoate
CID 4018331
2,5-dichloro-4-methoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 138042252
ethyl (3R)-3-[(2,4-dichloro-3-methylphenyl)sulfonylamino]-3-(4-methylphenyl)propanoate
CID 40844974
ethyl (3R)-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]-3-(4-methylphenyl)propanoate
CID 40884931
ethyl 3-(ethylamino)-3-(4-methoxyphenyl)propanoate
CID 65233826
ethyl (3S)-3-[(3,4-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 7310426
ethyl (3R)-3-[(2-chloro-5-nitrophenyl)sulfonylamino]-3-(3-nitrophenyl)propanoate
CID 40857562
ethyl 3-(4-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 4013982
(3R)-N-(2,4-dimethoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784438

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2,5-dichloro-4-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate?
The IUPAC name of ethyl 3-[(2,5-dichloro-4-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate (CID 3952917) is ethyl 3-[(2,5-dichloro-4-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for ethyl 3-[(2,5-dichloro-4-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate?
The canonical SMILES for ethyl 3-[(2,5-dichloro-4-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate is CCOC(=O)CC(NS(=O)(=O)c1cc(Cl)c(OC)cc1Cl)c1ccc(OC)cc1.
What is the InChIKey of ethyl 3-[(2,5-dichloro-4-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate?
The InChIKey is SIGHSYVLPMUNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2NO6S/c1-4-28-19(23)11-16(12-5-7-13(26-2)8-6-12)22-29(24,25)18-10-14(20)17(27-3)9-15(18)21/h5-10,16,22H,4,11H2,1-3H3.
What are the key properties of ethyl 3-[(2,5-dichloro-4-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate?
ethyl 3-[(2,5-dichloro-4-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate has a molecular weight of 462.35 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2,5-dichloro-4-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 3952917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).