N-[(4-morpholin-4-ylphenyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide

C20H24N2O3S — CID 110405168

IUPACN-[(4-morpholin-4-ylphenyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESO=S(=O)(NCc1ccc(N2CCOCC2)cc1)c1ccc2c(c1)CCC2
InChIInChI=1S/C20H24N2O3S/c23-26(24,20-9-6-17-2-1-3-18(17)14-20)21-15-16-4-7-19(8-5-16)22-10-12-25-13-11-22/h4-9,14,21H,1-3,10-13,15H2
InChIKeyPCYJVOPLWGUPQW-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.49
Rot. Bonds5

About N-[(4-morpholin-4-ylphenyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide

N-[(4-morpholin-4-ylphenyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 110405168) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[(4-morpholin-4-ylphenyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-[(4-morpholin-4-ylphenyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID110405168
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-[(4-morpholin-4-ylphenyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESO=S(=O)(NCc1ccc(N2CCOCC2)cc1)c1ccc2c(c1)CCC2
InChIInChI=1S/C20H24N2O3S/c23-26(24,20-9-6-17-2-1-3-18(17)14-20)21-15-16-4-7-19(8-5-16)22-10-12-25-13-11-22/h4-9,14,21H,1-3,10-13,15H2
InChIKeyPCYJVOPLWGUPQW-UHFFFAOYSA-N
XLogP2.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-morpholin-4-ylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 16891013
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 26540045
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 26531885
N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 16890531
N-(2-fluoro-5-morpholin-4-ylphenyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110362713
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 122319188
N-[3-(4-pyrrolidin-1-ylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 16890929
N-(furan-3-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 47204540
N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 35764559
N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 16890289
4-acetyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide
CID 110405170
N-(2-methoxy-5-morpholin-4-ylphenyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110359854

Frequently Asked Questions

What is the IUPAC name of N-[(4-morpholin-4-ylphenyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-[(4-morpholin-4-ylphenyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide (CID 110405168) is N-[(4-morpholin-4-ylphenyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-[(4-morpholin-4-ylphenyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-[(4-morpholin-4-ylphenyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide is O=S(=O)(NCc1ccc(N2CCOCC2)cc1)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[(4-morpholin-4-ylphenyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is PCYJVOPLWGUPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c23-26(24,20-9-6-17-2-1-3-18(17)14-20)21-15-16-4-7-19(8-5-16)22-10-12-25-13-11-22/h4-9,14,21H,1-3,10-13,15H2.
What are the key properties of N-[(4-morpholin-4-ylphenyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide?
N-[(4-morpholin-4-ylphenyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 372.49 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-morpholin-4-ylphenyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 110405168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).