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

C21H25ClN2O3S — CID 43064531

IUPACN-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESO=S(=O)(NCC(c1ccccc1Cl)N1CCOCC1)c1ccc2c(c1)CCC2
InChIInChI=1S/C21H25ClN2O3S/c22-20-7-2-1-6-19(20)21(24-10-12-27-13-11-24)15-23-28(25,26)18-9-8-16-4-3-5-17(16)14-18/h1-2,6-9,14,21,23H,3-5,10-13,15H2
InChIKeyYKCIVRGFMAMBST-UHFFFAOYSA-N
MW420.96 g/mol
LogP3.18
Rot. Bonds6

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

N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 43064531) has the molecular formula C21H25ClN2O3S and a molecular weight of 420.96 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID43064531
Molecular FormulaC21H25ClN2O3S
Molecular Weight420.96 g/mol
Exact Mass420.13
IUPAC NameN-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESO=S(=O)(NCC(c1ccccc1Cl)N1CCOCC1)c1ccc2c(c1)CCC2
InChIInChI=1S/C21H25ClN2O3S/c22-20-7-2-1-6-19(20)21(24-10-12-27-13-11-24)15-23-28(25,26)18-9-8-16-4-3-5-17(16)14-18/h1-2,6-9,14,21,23H,3-5,10-13,15H2
InChIKeyYKCIVRGFMAMBST-UHFFFAOYSA-N
XLogP3.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.96
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-ethylbenzenesulfonamide
CID 42892400
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 32942505
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-methyl-3-nitrobenzenesulfonamide
CID 43064486
2,3-dichloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 43064501
N-[(2S)-2-morpholin-4-ylpropyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 51873210
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 16831463
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 55681670
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylbenzenesulfonamide
CID 110314133
ethyl 4-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]sulfamoyl]benzoate
CID 43064502
4-chloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylbenzenesulfonamide
CID 46452560
2-(2-chlorophenyl)-N-(ethylsulfamoyl)-2-morpholin-4-ylethanamine
CID 110633437
5-bromo-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]thiophene-2-sulfonamide
CID 43064529

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1H-indene-5-sulfonamide (CID 43064531) is N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1H-indene-5-sulfonamide is O=S(=O)(NCC(c1ccccc1Cl)N1CCOCC1)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is YKCIVRGFMAMBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3S/c22-20-7-2-1-6-19(20)21(24-10-12-27-13-11-24)15-23-28(25,26)18-9-8-16-4-3-5-17(16)14-18/h1-2,6-9,14,21,23H,3-5,10-13,15H2.
What are the key properties of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1H-indene-5-sulfonamide?
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 420.96 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 43064531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).