methyl 2-(4-chlorophenyl)-2-[4-(methanesulfonamido)indol-1-yl]-3-phenylpropanoate

C25H23ClN2O4S — CID 70560817

IUPACmethyl 2-(4-chlorophenyl)-2-[4-(methanesulfonamido)indol-1-yl]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc21
InChIInChI=1S/C25H23ClN2O4S/c1-32-24(29)25(17-18-7-4-3-5-8-18,19-11-13-20(26)14-12-19)28-16-15-21-22(27-33(2,30)31)9-6-10-23(21)28/h3-16,27H,17H2,1-2H3
InChIKeyBGSBXZRWMFJNHP-UHFFFAOYSA-N
MW482.99 g/mol
LogP4.83
Rot. Bonds7

About methyl 2-(4-chlorophenyl)-2-[4-(methanesulfonamido)indol-1-yl]-3-phenylpropanoate

methyl 2-(4-chlorophenyl)-2-[4-(methanesulfonamido)indol-1-yl]-3-phenylpropanoate (PubChem CID 70560817) has the molecular formula C25H23ClN2O4S and a molecular weight of 482.99 g/mol. Its IUPAC name is methyl 2-(4-chlorophenyl)-2-[4-(methanesulfonamido)indol-1-yl]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-(4-chlorophenyl)-2-[4-(methanesulfonamido)indol-1-yl]-3-phenylpropanoate
PubChem CID70560817
Molecular FormulaC25H23ClN2O4S
Molecular Weight482.99 g/mol
Exact Mass482.11
IUPAC Namemethyl 2-(4-chlorophenyl)-2-[4-(methanesulfonamido)indol-1-yl]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc21
InChIInChI=1S/C25H23ClN2O4S/c1-32-24(29)25(17-18-7-4-3-5-8-18,19-11-13-20(26)14-12-19)28-16-15-21-22(27-33(2,30)31)9-6-10-23(21)28/h3-16,27H,17H2,1-2H3
InChIKeyBGSBXZRWMFJNHP-UHFFFAOYSA-N
XLogP4.83
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.99
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-chlorophenyl)-2-[4-(methanesulfonamido)indol-1-yl]-3-phenylpropanoate?
The IUPAC name of methyl 2-(4-chlorophenyl)-2-[4-(methanesulfonamido)indol-1-yl]-3-phenylpropanoate (CID 70560817) is methyl 2-(4-chlorophenyl)-2-[4-(methanesulfonamido)indol-1-yl]-3-phenylpropanoate.
What is the SMILES notation for methyl 2-(4-chlorophenyl)-2-[4-(methanesulfonamido)indol-1-yl]-3-phenylpropanoate?
The canonical SMILES for methyl 2-(4-chlorophenyl)-2-[4-(methanesulfonamido)indol-1-yl]-3-phenylpropanoate is COC(=O)C(Cc1ccccc1)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc21.
What is the InChIKey of methyl 2-(4-chlorophenyl)-2-[4-(methanesulfonamido)indol-1-yl]-3-phenylpropanoate?
The InChIKey is BGSBXZRWMFJNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O4S/c1-32-24(29)25(17-18-7-4-3-5-8-18,19-11-13-20(26)14-12-19)28-16-15-21-22(27-33(2,30)31)9-6-10-23(21)28/h3-16,27H,17H2,1-2H3.
What are the key properties of methyl 2-(4-chlorophenyl)-2-[4-(methanesulfonamido)indol-1-yl]-3-phenylpropanoate?
methyl 2-(4-chlorophenyl)-2-[4-(methanesulfonamido)indol-1-yl]-3-phenylpropanoate has a molecular weight of 482.99 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-chlorophenyl)-2-[4-(methanesulfonamido)indol-1-yl]-3-phenylpropanoate is sourced from PubChem (CID 70560817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).