2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(3-hydroxypropyl)acetamide

C19H21ClN2O5S — CID 126396862

IUPAC2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(3-hydroxypropyl)acetamide
SMILESO=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl)NCCCO
InChIInChI=1S/C19H21ClN2O5S/c20-16-12-15(6-7-18(16)27-13-19(24)21-9-3-11-23)28(25,26)22-10-8-14-4-1-2-5-17(14)22/h1-2,4-7,12,23H,3,8-11,13H2,(H,21,24)
InChIKeyRGPWWCVTCNGQAG-UHFFFAOYSA-N
MW424.91 g/mol
LogP1.97
Rot. Bonds8

About 2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(3-hydroxypropyl)acetamide

2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(3-hydroxypropyl)acetamide (PubChem CID 126396862) has the molecular formula C19H21ClN2O5S and a molecular weight of 424.91 g/mol. Its IUPAC name is 2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(3-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(3-hydroxypropyl)acetamide
PubChem CID126396862
Molecular FormulaC19H21ClN2O5S
Molecular Weight424.91 g/mol
Exact Mass424.09
IUPAC Name2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(3-hydroxypropyl)acetamide
SMILESO=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl)NCCCO
InChIInChI=1S/C19H21ClN2O5S/c20-16-12-15(6-7-18(16)27-13-19(24)21-9-3-11-23)28(25,26)22-10-8-14-4-1-2-5-17(14)22/h1-2,4-7,12,23H,3,8-11,13H2,(H,21,24)
InChIKeyRGPWWCVTCNGQAG-UHFFFAOYSA-N
XLogP1.97
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.91
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-cyclohexylacetamide
CID 6491405
2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(2,6-diethylphenyl)acetamide
CID 126394310
2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 28555911
methyl 2-[[2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]acetyl]amino]benzoate
CID 126396064
2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-pentylacetamide
CID 5114863
2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 133239020
1-(3-chloro-4-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 974280
2-(2,4-dichlorophenoxy)-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]acetamide
CID 17321201
N-butyl-2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 5104659
2-(2,4-dibromophenoxy)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
CID 1013039
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]acetamide
CID 28555210
2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 43875105

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(3-hydroxypropyl)acetamide?
The IUPAC name of 2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(3-hydroxypropyl)acetamide (CID 126396862) is 2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(3-hydroxypropyl)acetamide.
What is the SMILES notation for 2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(3-hydroxypropyl)acetamide?
The canonical SMILES for 2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(3-hydroxypropyl)acetamide is O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl)NCCCO.
What is the InChIKey of 2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(3-hydroxypropyl)acetamide?
The InChIKey is RGPWWCVTCNGQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O5S/c20-16-12-15(6-7-18(16)27-13-19(24)21-9-3-11-23)28(25,26)22-10-8-14-4-1-2-5-17(14)22/h1-2,4-7,12,23H,3,8-11,13H2,(H,21,24).
What are the key properties of 2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(3-hydroxypropyl)acetamide?
2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(3-hydroxypropyl)acetamide has a molecular weight of 424.91 g/mol, XLogP of 1.97, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(3-hydroxypropyl)acetamide is sourced from PubChem (CID 126396862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).