2,4-dichloro-6-[(5-methoxy-2,3-dihydroindol-1-yl)sulfonyl]phenol

C15H13Cl2NO4S — CID 146604660

IUPAC2,4-dichloro-6-[(5-methoxy-2,3-dihydroindol-1-yl)sulfonyl]phenol
SMILESCOc1ccc2c(c1)CCN2S(=O)(=O)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C15H13Cl2NO4S/c1-22-11-2-3-13-9(6-11)4-5-18(13)23(20,21)14-8-10(16)7-12(17)15(14)19/h2-3,6-8,19H,4-5H2,1H3
InChIKeyUEJXAMGQQSTWNE-UHFFFAOYSA-N
MW374.25 g/mol
LogP3.46
Rot. Bonds3

About 2,4-dichloro-6-[(5-methoxy-2,3-dihydroindol-1-yl)sulfonyl]phenol

2,4-dichloro-6-[(5-methoxy-2,3-dihydroindol-1-yl)sulfonyl]phenol (PubChem CID 146604660) has the molecular formula C15H13Cl2NO4S and a molecular weight of 374.25 g/mol. Its IUPAC name is 2,4-dichloro-6-[(5-methoxy-2,3-dihydroindol-1-yl)sulfonyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(5-methoxy-2,3-dihydroindol-1-yl)sulfonyl]phenol
PubChem CID146604660
Molecular FormulaC15H13Cl2NO4S
Molecular Weight374.25 g/mol
Exact Mass372.99
IUPAC Name2,4-dichloro-6-[(5-methoxy-2,3-dihydroindol-1-yl)sulfonyl]phenol
SMILESCOc1ccc2c(c1)CCN2S(=O)(=O)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C15H13Cl2NO4S/c1-22-11-2-3-13-9(6-11)4-5-18(13)23(20,21)14-8-10(16)7-12(17)15(14)19/h2-3,6-8,19H,4-5H2,1H3
InChIKeyUEJXAMGQQSTWNE-UHFFFAOYSA-N
XLogP3.46
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.25
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_A(43)', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-6-spiro[2H-indole-3,4'-oxane]-1-ylsulfonylphenol
CID 146604362
1-(5-Chloro-2-methoxyphenyl)sulfonyl-5-fluoro-2,3-dihydroindole
CID 110714028
1-[(3-Chloro-4-methoxyphenyl)sulfonyl]indoline
CID 974280
1-[(5-Chloro-2-methoxyphenyl)sulfonyl]-2-methylindoline
CID 2954569
4-Chloro-2-(indolinylsulfonyl)-1-methoxybenzene
CID 3863231
3-[1-(3-Chloro-4-methoxyphenyl)sulfonyl-5-methoxy-2,3-dihydroindol-3-yl]propanoic acid
CID 70891858
3-[1-(3,5-Dichlorophenyl)sulfonyl-5-methoxy-2,3-dihydroindol-3-yl]propanoic acid
CID 70985375
1-(3-Chloro-4-methylphenyl)sulfonyl-5-methoxy-3-propyl-2,3-dihydroindole
CID 71036700
2-[4-Benzyl-2-[1-(3,5-dichloro-2-hydroxyphenyl)sulfonyl-5-methoxy-2,3-dihydroindol-3-yl]pyrrolidin-1-yl]sulfonyl-4,6-dichlorophenol
CID 146619434
(2S)-1-(5-chloro-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 978182
(2R)-1-(5-chloro-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 978183
(2R)-1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 1256490

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(5-methoxy-2,3-dihydroindol-1-yl)sulfonyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(5-methoxy-2,3-dihydroindol-1-yl)sulfonyl]phenol (CID 146604660) is 2,4-dichloro-6-[(5-methoxy-2,3-dihydroindol-1-yl)sulfonyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(5-methoxy-2,3-dihydroindol-1-yl)sulfonyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(5-methoxy-2,3-dihydroindol-1-yl)sulfonyl]phenol is COc1ccc2c(c1)CCN2S(=O)(=O)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2,4-dichloro-6-[(5-methoxy-2,3-dihydroindol-1-yl)sulfonyl]phenol?
The InChIKey is UEJXAMGQQSTWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO4S/c1-22-11-2-3-13-9(6-11)4-5-18(13)23(20,21)14-8-10(16)7-12(17)15(14)19/h2-3,6-8,19H,4-5H2,1H3.
What are the key properties of 2,4-dichloro-6-[(5-methoxy-2,3-dihydroindol-1-yl)sulfonyl]phenol?
2,4-dichloro-6-[(5-methoxy-2,3-dihydroindol-1-yl)sulfonyl]phenol has a molecular weight of 374.25 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(5-methoxy-2,3-dihydroindol-1-yl)sulfonyl]phenol is sourced from PubChem (CID 146604660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).