[2-[4-(cyclohexylsulfamoyl)phenyl]-1H-indol-3-yl]methyl acetate

C23H26N2O4S — CID 151813192

IUPAC[2-[4-(cyclohexylsulfamoyl)phenyl]-1H-indol-3-yl]methyl acetate
SMILESCC(=O)OCc1c(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2)[nH]c2ccccc12
InChIInChI=1S/C23H26N2O4S/c1-16(26)29-15-21-20-9-5-6-10-22(20)24-23(21)17-11-13-19(14-12-17)30(27,28)25-18-7-3-2-4-8-18/h5-6,9-14,18,24-25H,2-4,7-8,15H2,1H3
InChIKeySBAVHVCONOYFEC-UHFFFAOYSA-N
MW426.54 g/mol
LogP4.51
Rot. Bonds6

About [2-[4-(cyclohexylsulfamoyl)phenyl]-1H-indol-3-yl]methyl acetate

[2-[4-(cyclohexylsulfamoyl)phenyl]-1H-indol-3-yl]methyl acetate (PubChem CID 151813192) has the molecular formula C23H26N2O4S and a molecular weight of 426.54 g/mol. Its IUPAC name is [2-[4-(cyclohexylsulfamoyl)phenyl]-1H-indol-3-yl]methyl acetate.

Molecular Properties

Compound Name[2-[4-(cyclohexylsulfamoyl)phenyl]-1H-indol-3-yl]methyl acetate
PubChem CID151813192
Molecular FormulaC23H26N2O4S
Molecular Weight426.54 g/mol
Exact Mass426.16
IUPAC Name[2-[4-(cyclohexylsulfamoyl)phenyl]-1H-indol-3-yl]methyl acetate
SMILESCC(=O)OCc1c(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2)[nH]c2ccccc12
InChIInChI=1S/C23H26N2O4S/c1-16(26)29-15-21-20-9-5-6-10-22(20)24-23(21)17-11-13-19(14-12-17)30(27,28)25-18-7-3-2-4-8-18/h5-6,9-14,18,24-25H,2-4,7-8,15H2,1H3
InChIKeySBAVHVCONOYFEC-UHFFFAOYSA-N
XLogP4.51
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(cyclohexylsulfamoyl)phenyl]-1H-indol-3-yl]methyl acetate?
The IUPAC name of [2-[4-(cyclohexylsulfamoyl)phenyl]-1H-indol-3-yl]methyl acetate (CID 151813192) is [2-[4-(cyclohexylsulfamoyl)phenyl]-1H-indol-3-yl]methyl acetate.
What is the SMILES notation for [2-[4-(cyclohexylsulfamoyl)phenyl]-1H-indol-3-yl]methyl acetate?
The canonical SMILES for [2-[4-(cyclohexylsulfamoyl)phenyl]-1H-indol-3-yl]methyl acetate is CC(=O)OCc1c(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2)[nH]c2ccccc12.
What is the InChIKey of [2-[4-(cyclohexylsulfamoyl)phenyl]-1H-indol-3-yl]methyl acetate?
The InChIKey is SBAVHVCONOYFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4S/c1-16(26)29-15-21-20-9-5-6-10-22(20)24-23(21)17-11-13-19(14-12-17)30(27,28)25-18-7-3-2-4-8-18/h5-6,9-14,18,24-25H,2-4,7-8,15H2,1H3.
What are the key properties of [2-[4-(cyclohexylsulfamoyl)phenyl]-1H-indol-3-yl]methyl acetate?
[2-[4-(cyclohexylsulfamoyl)phenyl]-1H-indol-3-yl]methyl acetate has a molecular weight of 426.54 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(cyclohexylsulfamoyl)phenyl]-1H-indol-3-yl]methyl acetate is sourced from PubChem (CID 151813192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).