2-[3-(4-chlorophenoxy)-4-(methanesulfonamido)-2-methylindol-1-yl]acetic acid

C18H17ClN2O5S — CID 11611215

IUPAC2-[3-(4-chlorophenoxy)-4-(methanesulfonamido)-2-methylindol-1-yl]acetic acid
SMILESCc1c(Oc2ccc(Cl)cc2)c2c(NS(C)(=O)=O)cccc2n1CC(=O)O
InChIInChI=1S/C18H17ClN2O5S/c1-11-18(26-13-8-6-12(19)7-9-13)17-14(20-27(2,24)25)4-3-5-15(17)21(11)10-16(22)23/h3-9,20H,10H2,1-2H3,(H,22,23)
InChIKeyYYXNJDGFOGUERM-UHFFFAOYSA-N
MW408.86 g/mol
LogP3.85
Rot. Bonds6

About 2-[3-(4-chlorophenoxy)-4-(methanesulfonamido)-2-methylindol-1-yl]acetic acid

2-[3-(4-chlorophenoxy)-4-(methanesulfonamido)-2-methylindol-1-yl]acetic acid (PubChem CID 11611215) has the molecular formula C18H17ClN2O5S and a molecular weight of 408.86 g/mol. Its IUPAC name is 2-[3-(4-chlorophenoxy)-4-(methanesulfonamido)-2-methylindol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(4-chlorophenoxy)-4-(methanesulfonamido)-2-methylindol-1-yl]acetic acid
PubChem CID11611215
Molecular FormulaC18H17ClN2O5S
Molecular Weight408.86 g/mol
Exact Mass408.05
IUPAC Name2-[3-(4-chlorophenoxy)-4-(methanesulfonamido)-2-methylindol-1-yl]acetic acid
SMILESCc1c(Oc2ccc(Cl)cc2)c2c(NS(C)(=O)=O)cccc2n1CC(=O)O
InChIInChI=1S/C18H17ClN2O5S/c1-11-18(26-13-8-6-12(19)7-9-13)17-14(20-27(2,24)25)4-3-5-15(17)21(11)10-16(22)23/h3-9,20H,10H2,1-2H3,(H,22,23)
InChIKeyYYXNJDGFOGUERM-UHFFFAOYSA-N
XLogP3.85
TPSA97.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.86
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenoxy)-4-(methanesulfonamido)-2-methylindol-1-yl]acetic acid?
The IUPAC name of 2-[3-(4-chlorophenoxy)-4-(methanesulfonamido)-2-methylindol-1-yl]acetic acid (CID 11611215) is 2-[3-(4-chlorophenoxy)-4-(methanesulfonamido)-2-methylindol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(4-chlorophenoxy)-4-(methanesulfonamido)-2-methylindol-1-yl]acetic acid?
The canonical SMILES for 2-[3-(4-chlorophenoxy)-4-(methanesulfonamido)-2-methylindol-1-yl]acetic acid is Cc1c(Oc2ccc(Cl)cc2)c2c(NS(C)(=O)=O)cccc2n1CC(=O)O.
What is the InChIKey of 2-[3-(4-chlorophenoxy)-4-(methanesulfonamido)-2-methylindol-1-yl]acetic acid?
The InChIKey is YYXNJDGFOGUERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O5S/c1-11-18(26-13-8-6-12(19)7-9-13)17-14(20-27(2,24)25)4-3-5-15(17)21(11)10-16(22)23/h3-9,20H,10H2,1-2H3,(H,22,23).
What are the key properties of 2-[3-(4-chlorophenoxy)-4-(methanesulfonamido)-2-methylindol-1-yl]acetic acid?
2-[3-(4-chlorophenoxy)-4-(methanesulfonamido)-2-methylindol-1-yl]acetic acid has a molecular weight of 408.86 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenoxy)-4-(methanesulfonamido)-2-methylindol-1-yl]acetic acid is sourced from PubChem (CID 11611215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).