phenyl N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]carbamate

C22H20N2O5S — CID 24993540

IUPACphenyl N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]carbamate
SMILESCOc1ccc(S(=O)(=O)N2CCc3cccc(NC(=O)Oc4ccccc4)c32)cc1
InChIInChI=1S/C22H20N2O5S/c1-28-17-10-12-19(13-11-17)30(26,27)24-15-14-16-6-5-9-20(21(16)24)23-22(25)29-18-7-3-2-4-8-18/h2-13H,14-15H2,1H3,(H,23,25)
InChIKeyKDCNHHKSRSWSED-UHFFFAOYSA-N
MW424.48 g/mol
LogP4.06
Rot. Bonds5

About phenyl N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]carbamate

phenyl N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]carbamate (PubChem CID 24993540) has the molecular formula C22H20N2O5S and a molecular weight of 424.48 g/mol. Its IUPAC name is phenyl N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]carbamate
PubChem CID24993540
Molecular FormulaC22H20N2O5S
Molecular Weight424.48 g/mol
Exact Mass424.11
IUPAC Namephenyl N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]carbamate
SMILESCOc1ccc(S(=O)(=O)N2CCc3cccc(NC(=O)Oc4ccccc4)c32)cc1
InChIInChI=1S/C22H20N2O5S/c1-28-17-10-12-19(13-11-17)30(26,27)24-15-14-16-6-5-9-20(21(16)24)23-22(25)29-18-7-3-2-4-8-18/h2-13H,14-15H2,1H3,(H,23,25)
InChIKeyKDCNHHKSRSWSED-UHFFFAOYSA-N
XLogP4.06
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]carbamate?
The IUPAC name of phenyl N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]carbamate (CID 24993540) is phenyl N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]carbamate.
What is the SMILES notation for phenyl N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]carbamate?
The canonical SMILES for phenyl N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]carbamate is COc1ccc(S(=O)(=O)N2CCc3cccc(NC(=O)Oc4ccccc4)c32)cc1.
What is the InChIKey of phenyl N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]carbamate?
The InChIKey is KDCNHHKSRSWSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5S/c1-28-17-10-12-19(13-11-17)30(26,27)24-15-14-16-6-5-9-20(21(16)24)23-22(25)29-18-7-3-2-4-8-18/h2-13H,14-15H2,1H3,(H,23,25).
What are the key properties of phenyl N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]carbamate?
phenyl N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]carbamate has a molecular weight of 424.48 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]carbamate is sourced from PubChem (CID 24993540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).