N-[1-[(4-methoxyphenyl)methyl]-2,3-dihydroindol-5-yl]cyclohexanesulfonamide

C22H28N2O3S — CID 155525086

IUPACN-[1-[(4-methoxyphenyl)methyl]-2,3-dihydroindol-5-yl]cyclohexanesulfonamide
SMILESCOc1ccc(CN2CCc3cc(NS(=O)(=O)C4CCCCC4)ccc32)cc1
InChIInChI=1S/C22H28N2O3S/c1-27-20-10-7-17(8-11-20)16-24-14-13-18-15-19(9-12-22(18)24)23-28(25,26)21-5-3-2-4-6-21/h7-12,15,21,23H,2-6,13-14,16H2,1H3
InChIKeyRRKGWFUYPAXESR-UHFFFAOYSA-N
MW400.54 g/mol
LogP4.33
Rot. Bonds6

About N-[1-[(4-methoxyphenyl)methyl]-2,3-dihydroindol-5-yl]cyclohexanesulfonamide

N-[1-[(4-methoxyphenyl)methyl]-2,3-dihydroindol-5-yl]cyclohexanesulfonamide (PubChem CID 155525086) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is N-[1-[(4-methoxyphenyl)methyl]-2,3-dihydroindol-5-yl]cyclohexanesulfonamide.

Molecular Properties

Compound NameN-[1-[(4-methoxyphenyl)methyl]-2,3-dihydroindol-5-yl]cyclohexanesulfonamide
PubChem CID155525086
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC NameN-[1-[(4-methoxyphenyl)methyl]-2,3-dihydroindol-5-yl]cyclohexanesulfonamide
SMILESCOc1ccc(CN2CCc3cc(NS(=O)(=O)C4CCCCC4)ccc32)cc1
InChIInChI=1S/C22H28N2O3S/c1-27-20-10-7-17(8-11-20)16-24-14-13-18-15-19(9-12-22(18)24)23-28(25,26)21-5-3-2-4-6-21/h7-12,15,21,23H,2-6,13-14,16H2,1H3
InChIKeyRRKGWFUYPAXESR-UHFFFAOYSA-N
XLogP4.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methoxyphenyl)methyl]-2,3-dihydroindol-5-yl]cyclohexanesulfonamide?
The IUPAC name of N-[1-[(4-methoxyphenyl)methyl]-2,3-dihydroindol-5-yl]cyclohexanesulfonamide (CID 155525086) is N-[1-[(4-methoxyphenyl)methyl]-2,3-dihydroindol-5-yl]cyclohexanesulfonamide.
What is the SMILES notation for N-[1-[(4-methoxyphenyl)methyl]-2,3-dihydroindol-5-yl]cyclohexanesulfonamide?
The canonical SMILES for N-[1-[(4-methoxyphenyl)methyl]-2,3-dihydroindol-5-yl]cyclohexanesulfonamide is COc1ccc(CN2CCc3cc(NS(=O)(=O)C4CCCCC4)ccc32)cc1.
What is the InChIKey of N-[1-[(4-methoxyphenyl)methyl]-2,3-dihydroindol-5-yl]cyclohexanesulfonamide?
The InChIKey is RRKGWFUYPAXESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-27-20-10-7-17(8-11-20)16-24-14-13-18-15-19(9-12-22(18)24)23-28(25,26)21-5-3-2-4-6-21/h7-12,15,21,23H,2-6,13-14,16H2,1H3.
What are the key properties of N-[1-[(4-methoxyphenyl)methyl]-2,3-dihydroindol-5-yl]cyclohexanesulfonamide?
N-[1-[(4-methoxyphenyl)methyl]-2,3-dihydroindol-5-yl]cyclohexanesulfonamide has a molecular weight of 400.54 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-methoxyphenyl)methyl]-2,3-dihydroindol-5-yl]cyclohexanesulfonamide is sourced from PubChem (CID 155525086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).