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

C19H21ClN2O4S — CID 39641255

IUPAC1-[(2R)-2-(2-chlorophenoxy)propanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
SMILESC[C@@H](Oc1ccccc1Cl)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C19H21ClN2O4S/c1-13(26-18-7-5-4-6-16(18)20)19(23)22-11-10-14-12-15(8-9-17(14)22)27(24,25)21(2)3/h4-9,12-13H,10-11H2,1-3H3/t13-/m1/s1
InChIKeyBYDMCWGSWFYNNE-CYBMUJFWSA-N
MW408.91 g/mol
LogP2.95
Rot. Bonds5

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

1-[(2R)-2-(2-chlorophenoxy)propanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 39641255) has the molecular formula C19H21ClN2O4S and a molecular weight of 408.91 g/mol. Its IUPAC name is 1-[(2R)-2-(2-chlorophenoxy)propanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-[(2R)-2-(2-chlorophenoxy)propanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
PubChem CID39641255
Molecular FormulaC19H21ClN2O4S
Molecular Weight408.91 g/mol
Exact Mass408.09
IUPAC Name1-[(2R)-2-(2-chlorophenoxy)propanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
SMILESC[C@@H](Oc1ccccc1Cl)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C19H21ClN2O4S/c1-13(26-18-7-5-4-6-16(18)20)19(23)22-11-10-14-12-15(8-9-17(14)22)27(24,25)21(2)3/h4-9,12-13H,10-11H2,1-3H3/t13-/m1/s1
InChIKeyBYDMCWGSWFYNNE-CYBMUJFWSA-N
XLogP2.95
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-chlorophenoxy)propanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 132663330
N,N-dimethyl-1-(2-phenoxypropanoyl)-2,3-dihydroindole-5-sulfonamide
CID 18097880
1-[2-(4-chloro-3-methylphenoxy)propanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 132667023
(2R)-2-(2-chlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 7425461
2-(2,3-dichlorophenoxy)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 55685787
(2R)-2-(2,3-dichlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 2708811
1-[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 99999439
1-[(2R)-2-(2,3-dimethylphenoxy)butanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 92647054
1-[3-(2,6-dichlorophenyl)propanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 100602895
1-[2-[N-(benzenesulfonyl)-2,3-dichloroanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 43893462
1-[1-(benzenesulfonyl)piperidine-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 26769945
N,N-dimethyl-1-[2-(2-propan-2-ylphenoxy)butanoyl]-2,3-dihydroindole-6-sulfonamide
CID 86957000

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(2-chlorophenoxy)propanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-[(2R)-2-(2-chlorophenoxy)propanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide (CID 39641255) is 1-[(2R)-2-(2-chlorophenoxy)propanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-[(2R)-2-(2-chlorophenoxy)propanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-[(2R)-2-(2-chlorophenoxy)propanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide is C[C@@H](Oc1ccccc1Cl)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21.
What is the InChIKey of 1-[(2R)-2-(2-chlorophenoxy)propanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is BYDMCWGSWFYNNE-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21ClN2O4S/c1-13(26-18-7-5-4-6-16(18)20)19(23)22-11-10-14-12-15(8-9-17(14)22)27(24,25)21(2)3/h4-9,12-13H,10-11H2,1-3H3/t13-/m1/s1.
What are the key properties of 1-[(2R)-2-(2-chlorophenoxy)propanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
1-[(2R)-2-(2-chlorophenoxy)propanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 408.91 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(2-chlorophenoxy)propanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 39641255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).