ethyl 3-[(4-chloro-3-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate

C19H22ClNO6S — CID 3631613

IUPACethyl 3-[(4-chloro-3-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate
SMILESCCOC(=O)CC(NS(=O)(=O)c1ccc(Cl)c(OC)c1)c1ccc(OC)cc1
InChIInChI=1S/C19H22ClNO6S/c1-4-27-19(22)12-17(13-5-7-14(25-2)8-6-13)21-28(23,24)15-9-10-16(20)18(11-15)26-3/h5-11,17,21H,4,12H2,1-3H3
InChIKeyPVGUWEWZOSHQSM-UHFFFAOYSA-N
MW427.91 g/mol
LogP3.33
Rot. Bonds9

About ethyl 3-[(4-chloro-3-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate

ethyl 3-[(4-chloro-3-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate (PubChem CID 3631613) has the molecular formula C19H22ClNO6S and a molecular weight of 427.91 g/mol. Its IUPAC name is ethyl 3-[(4-chloro-3-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 3-[(4-chloro-3-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate
PubChem CID3631613
Molecular FormulaC19H22ClNO6S
Molecular Weight427.91 g/mol
Exact Mass427.09
IUPAC Nameethyl 3-[(4-chloro-3-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate
SMILESCCOC(=O)CC(NS(=O)(=O)c1ccc(Cl)c(OC)c1)c1ccc(OC)cc1
InChIInChI=1S/C19H22ClNO6S/c1-4-27-19(22)12-17(13-5-7-14(25-2)8-6-13)21-28(23,24)15-9-10-16(20)18(11-15)26-3/h5-11,17,21H,4,12H2,1-3H3
InChIKeyPVGUWEWZOSHQSM-UHFFFAOYSA-N
XLogP3.33
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.91
LogP ≤ 53.33
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 (3R)-3-[(3,4-dichloro-2-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate
CID 40850106
ethyl 3-(4-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 4013982
ethyl (3R)-3-(4-ethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 7045147
(3S)-3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid
CID 674533
4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3-methylbenzenesulfonamide
CID 43904682
ethyl 3-[(3,4-difluorophenyl)sulfonylamino]-3-(3-methoxyphenyl)propanoate
CID 55914953
methyl 2-chloro-5-[[1-(4-methoxyphenyl)-3-methylbutyl]sulfamoyl]benzoate
CID 133185100
ethyl (3S)-3-[(3,4-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 7310426
ethyl (3R)-3-[(2,4-dichloro-3-methylphenyl)sulfonylamino]-3-(4-methylphenyl)propanoate
CID 40844974
ethyl (3S)-3-(4-methylphenyl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoate
CID 164861943
ethyl 3-(4-methylphenyl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoate
CID 164862354

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4-chloro-3-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate?
The IUPAC name of ethyl 3-[(4-chloro-3-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate (CID 3631613) is ethyl 3-[(4-chloro-3-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for ethyl 3-[(4-chloro-3-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate?
The canonical SMILES for ethyl 3-[(4-chloro-3-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate is CCOC(=O)CC(NS(=O)(=O)c1ccc(Cl)c(OC)c1)c1ccc(OC)cc1.
What is the InChIKey of ethyl 3-[(4-chloro-3-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate?
The InChIKey is PVGUWEWZOSHQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO6S/c1-4-27-19(22)12-17(13-5-7-14(25-2)8-6-13)21-28(23,24)15-9-10-16(20)18(11-15)26-3/h5-11,17,21H,4,12H2,1-3H3.
What are the key properties of ethyl 3-[(4-chloro-3-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate?
ethyl 3-[(4-chloro-3-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate has a molecular weight of 427.91 g/mol, XLogP of 3.33, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4-chloro-3-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 3631613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).