N-[2-(2-chlorophenoxy)ethyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide

C19H21ClN2O4S — CID 100588228

IUPACN-[2-(2-chlorophenoxy)ethyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
SMILESCCC(=O)N1CCc2cc(S(=O)(=O)NCCOc3ccccc3Cl)ccc21
InChIInChI=1S/C19H21ClN2O4S/c1-2-19(23)22-11-9-14-13-15(7-8-17(14)22)27(24,25)21-10-12-26-18-6-4-3-5-16(18)20/h3-8,13,21H,2,9-12H2,1H3
InChIKeyVTXZBJPUJQFFMW-UHFFFAOYSA-N
MW408.91 g/mol
LogP3.00
Rot. Bonds7

About N-[2-(2-chlorophenoxy)ethyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide

N-[2-(2-chlorophenoxy)ethyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 100588228) has the molecular formula C19H21ClN2O4S and a molecular weight of 408.91 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)ethyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)ethyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
PubChem CID100588228
Molecular FormulaC19H21ClN2O4S
Molecular Weight408.91 g/mol
Exact Mass408.09
IUPAC NameN-[2-(2-chlorophenoxy)ethyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
SMILESCCC(=O)N1CCc2cc(S(=O)(=O)NCCOc3ccccc3Cl)ccc21
InChIInChI=1S/C19H21ClN2O4S/c1-2-19(23)22-11-9-14-13-15(7-8-17(14)22)27(24,25)21-10-12-26-18-6-4-3-5-16(18)20/h3-8,13,21H,2,9-12H2,1H3
InChIKeyVTXZBJPUJQFFMW-UHFFFAOYSA-N
XLogP3.00
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 100505396
N-(4-chlorophenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide
CID 46254029
N-[3-(dipropylamino)propyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 20851711
ethyl 4-[3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanoyl]piperazine-1-carboxylate
CID 155900837
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 100548107
1-(cyclopropanecarbonyl)-N-[2-(3-methoxyphenoxy)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 100555023
N-(2-methoxyethyl)-1-(4-oxo-4-piperidin-1-ylbutanoyl)-2,3-dihydroindole-5-sulfonamide
CID 53025463
N-[2-(4-tert-butylphenoxy)ethyl]-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 100561594
1-acetyl-N-[2-(3,5-dimethylphenoxy)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 30365992
1-[2-(2-chlorophenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435199
N-(4-bromophenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide
CID 46254034
3,4-dimethyl-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzenesulfonamide
CID 53092481

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide (CID 100588228) is N-[2-(2-chlorophenoxy)ethyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-[2-(2-chlorophenoxy)ethyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-[2-(2-chlorophenoxy)ethyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide is CCC(=O)N1CCc2cc(S(=O)(=O)NCCOc3ccccc3Cl)ccc21.
What is the InChIKey of N-[2-(2-chlorophenoxy)ethyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is VTXZBJPUJQFFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4S/c1-2-19(23)22-11-9-14-13-15(7-8-17(14)22)27(24,25)21-10-12-26-18-6-4-3-5-16(18)20/h3-8,13,21H,2,9-12H2,1H3.
What are the key properties of N-[2-(2-chlorophenoxy)ethyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide?
N-[2-(2-chlorophenoxy)ethyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 408.91 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)ethyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 100588228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).