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

C19H21Cl2NO6S — CID 40850106

IUPACethyl (3R)-3-[(3,4-dichloro-2-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate
SMILESCCOC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1OC)c1ccc(OC)cc1
InChIInChI=1S/C19H21Cl2NO6S/c1-4-28-17(23)11-15(12-5-7-13(26-2)8-6-12)22-29(24,25)16-10-9-14(20)18(21)19(16)27-3/h5-10,15,22H,4,11H2,1-3H3/t15-/m1/s1
InChIKeyBHHREFFGHRFMNW-OAHLLOKOSA-N
MW462.35 g/mol
LogP3.98
Rot. Bonds9

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

ethyl (3R)-3-[(3,4-dichloro-2-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate (PubChem CID 40850106) has the molecular formula C19H21Cl2NO6S and a molecular weight of 462.35 g/mol. Its IUPAC name is ethyl (3R)-3-[(3,4-dichloro-2-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl (3R)-3-[(3,4-dichloro-2-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate
PubChem CID40850106
Molecular FormulaC19H21Cl2NO6S
Molecular Weight462.35 g/mol
Exact Mass461.05
IUPAC Nameethyl (3R)-3-[(3,4-dichloro-2-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate
SMILESCCOC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1OC)c1ccc(OC)cc1
InChIInChI=1S/C19H21Cl2NO6S/c1-4-28-17(23)11-15(12-5-7-13(26-2)8-6-12)22-29(24,25)16-10-9-14(20)18(21)19(16)27-3/h5-10,15,22H,4,11H2,1-3H3/t15-/m1/s1
InChIKeyBHHREFFGHRFMNW-OAHLLOKOSA-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

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Related Compounds

ethyl 3-[(2,5-dichloro-4-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate
CID 3952917
ethyl 3-[(4-chloro-3-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate
CID 3631613
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-(4-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 4013982
ethyl 3-(ethylamino)-3-(4-methoxyphenyl)propanoate
CID 65233826
ethyl (3R)-3-(4-ethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 7045147
ethyl (3S)-3-[(3,4-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 7310426
ethyl (3S)-3-[(4-ethoxynaphthalen-1-yl)sulfonylamino]-3-(4-methylphenyl)propanoate
CID 40844788
ethyl (3R)-3-[(2,5-diethoxyphenyl)sulfonylamino]-3-(4-methylphenyl)propanoate
CID 41092589
N-tert-butyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 133241816
N,N-diethyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 133255458

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-[(3,4-dichloro-2-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate?
The IUPAC name of ethyl (3R)-3-[(3,4-dichloro-2-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate (CID 40850106) is ethyl (3R)-3-[(3,4-dichloro-2-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for ethyl (3R)-3-[(3,4-dichloro-2-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate?
The canonical SMILES for ethyl (3R)-3-[(3,4-dichloro-2-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate is CCOC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1OC)c1ccc(OC)cc1.
What is the InChIKey of ethyl (3R)-3-[(3,4-dichloro-2-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate?
The InChIKey is BHHREFFGHRFMNW-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21Cl2NO6S/c1-4-28-17(23)11-15(12-5-7-13(26-2)8-6-12)22-29(24,25)16-10-9-14(20)18(21)19(16)27-3/h5-10,15,22H,4,11H2,1-3H3/t15-/m1/s1.
What are the key properties of ethyl (3R)-3-[(3,4-dichloro-2-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate?
ethyl (3R)-3-[(3,4-dichloro-2-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 (3R)-3-[(3,4-dichloro-2-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 40850106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).