2-[4-chloro-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-cyclohexylacetamide

C23H27ClN2O4S — CID 2204207

IUPAC2-[4-chloro-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-cyclohexylacetamide
SMILESCc1cc(Cl)c(S(=O)(=O)N2CCc3ccccc32)cc1OCC(=O)NC1CCCCC1
InChIInChI=1S/C23H27ClN2O4S/c1-16-13-19(24)22(31(28,29)26-12-11-17-7-5-6-10-20(17)26)14-21(16)30-15-23(27)25-18-8-3-2-4-9-18/h5-7,10,13-14,18H,2-4,8-9,11-12,15H2,1H3,(H,25,27)
InChIKeyVQHIKBWSDVFZOY-UHFFFAOYSA-N
MW463.00 g/mol
LogP4.23
Rot. Bonds6

About 2-[4-chloro-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-cyclohexylacetamide

2-[4-chloro-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-cyclohexylacetamide (PubChem CID 2204207) has the molecular formula C23H27ClN2O4S and a molecular weight of 463.00 g/mol. Its IUPAC name is 2-[4-chloro-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[4-chloro-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-cyclohexylacetamide
PubChem CID2204207
Molecular FormulaC23H27ClN2O4S
Molecular Weight463.00 g/mol
Exact Mass462.14
IUPAC Name2-[4-chloro-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-cyclohexylacetamide
SMILESCc1cc(Cl)c(S(=O)(=O)N2CCc3ccccc32)cc1OCC(=O)NC1CCCCC1
InChIInChI=1S/C23H27ClN2O4S/c1-16-13-19(24)22(31(28,29)26-12-11-17-7-5-6-10-20(17)26)14-21(16)30-15-23(27)25-18-8-3-2-4-9-18/h5-7,10,13-14,18H,2-4,8-9,11-12,15H2,1H3,(H,25,27)
InChIKeyVQHIKBWSDVFZOY-UHFFFAOYSA-N
XLogP4.23
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.00
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-cyclohexylacetamide?
The IUPAC name of 2-[4-chloro-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-cyclohexylacetamide (CID 2204207) is 2-[4-chloro-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[4-chloro-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-cyclohexylacetamide?
The canonical SMILES for 2-[4-chloro-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-cyclohexylacetamide is Cc1cc(Cl)c(S(=O)(=O)N2CCc3ccccc32)cc1OCC(=O)NC1CCCCC1.
What is the InChIKey of 2-[4-chloro-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-cyclohexylacetamide?
The InChIKey is VQHIKBWSDVFZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O4S/c1-16-13-19(24)22(31(28,29)26-12-11-17-7-5-6-10-20(17)26)14-21(16)30-15-23(27)25-18-8-3-2-4-9-18/h5-7,10,13-14,18H,2-4,8-9,11-12,15H2,1H3,(H,25,27).
What are the key properties of 2-[4-chloro-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-cyclohexylacetamide?
2-[4-chloro-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-cyclohexylacetamide has a molecular weight of 463.00 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-cyclohexylacetamide is sourced from PubChem (CID 2204207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).