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

C21H24F2N2O2S — CID 155512234

IUPACN-[1-[(2,4-difluorophenyl)methyl]-2,3-dihydroindol-5-yl]cyclohexanesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)CCN2Cc1ccc(F)cc1F)C1CCCCC1
InChIInChI=1S/C21H24F2N2O2S/c22-17-7-6-16(20(23)13-17)14-25-11-10-15-12-18(8-9-21(15)25)24-28(26,27)19-4-2-1-3-5-19/h6-9,12-13,19,24H,1-5,10-11,14H2
InChIKeyCKIGGIUYPBRMLG-UHFFFAOYSA-N
MW406.50 g/mol
LogP4.60
Rot. Bonds5

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

N-[1-[(2,4-difluorophenyl)methyl]-2,3-dihydroindol-5-yl]cyclohexanesulfonamide (PubChem CID 155512234) has the molecular formula C21H24F2N2O2S and a molecular weight of 406.50 g/mol. Its IUPAC name is N-[1-[(2,4-difluorophenyl)methyl]-2,3-dihydroindol-5-yl]cyclohexanesulfonamide.

Molecular Properties

Compound NameN-[1-[(2,4-difluorophenyl)methyl]-2,3-dihydroindol-5-yl]cyclohexanesulfonamide
PubChem CID155512234
Molecular FormulaC21H24F2N2O2S
Molecular Weight406.50 g/mol
Exact Mass406.15
IUPAC NameN-[1-[(2,4-difluorophenyl)methyl]-2,3-dihydroindol-5-yl]cyclohexanesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)CCN2Cc1ccc(F)cc1F)C1CCCCC1
InChIInChI=1S/C21H24F2N2O2S/c22-17-7-6-16(20(23)13-17)14-25-11-10-15-12-18(8-9-21(15)25)24-28(26,27)19-4-2-1-3-5-19/h6-9,12-13,19,24H,1-5,10-11,14H2
InChIKeyCKIGGIUYPBRMLG-UHFFFAOYSA-N
XLogP4.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(2,4-difluorophenyl)methyl]-2,3-dihydroindol-5-yl]cyclohexanesulfonamide?
The IUPAC name of N-[1-[(2,4-difluorophenyl)methyl]-2,3-dihydroindol-5-yl]cyclohexanesulfonamide (CID 155512234) is N-[1-[(2,4-difluorophenyl)methyl]-2,3-dihydroindol-5-yl]cyclohexanesulfonamide.
What is the SMILES notation for N-[1-[(2,4-difluorophenyl)methyl]-2,3-dihydroindol-5-yl]cyclohexanesulfonamide?
The canonical SMILES for N-[1-[(2,4-difluorophenyl)methyl]-2,3-dihydroindol-5-yl]cyclohexanesulfonamide is O=S(=O)(Nc1ccc2c(c1)CCN2Cc1ccc(F)cc1F)C1CCCCC1.
What is the InChIKey of N-[1-[(2,4-difluorophenyl)methyl]-2,3-dihydroindol-5-yl]cyclohexanesulfonamide?
The InChIKey is CKIGGIUYPBRMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O2S/c22-17-7-6-16(20(23)13-17)14-25-11-10-15-12-18(8-9-21(15)25)24-28(26,27)19-4-2-1-3-5-19/h6-9,12-13,19,24H,1-5,10-11,14H2.
What are the key properties of N-[1-[(2,4-difluorophenyl)methyl]-2,3-dihydroindol-5-yl]cyclohexanesulfonamide?
N-[1-[(2,4-difluorophenyl)methyl]-2,3-dihydroindol-5-yl]cyclohexanesulfonamide has a molecular weight of 406.50 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,4-difluorophenyl)methyl]-2,3-dihydroindol-5-yl]cyclohexanesulfonamide is sourced from PubChem (CID 155512234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).