methyl 1-(3,4-dichlorophenyl)sulfonyl-2,3-dihydroindole-2-carboxylate

C16H13Cl2NO4S — CID 66755963

IUPACmethyl 1-(3,4-dichlorophenyl)sulfonyl-2,3-dihydroindole-2-carboxylate
SMILESCOC(=O)C1Cc2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H13Cl2NO4S/c1-23-16(20)15-8-10-4-2-3-5-14(10)19(15)24(21,22)11-6-7-12(17)13(18)9-11/h2-7,9,15H,8H2,1H3
InChIKeyNKGCLPHUWUADDY-UHFFFAOYSA-N
MW386.26 g/mol
LogP3.29
Rot. Bonds3

About methyl 1-(3,4-dichlorophenyl)sulfonyl-2,3-dihydroindole-2-carboxylate

methyl 1-(3,4-dichlorophenyl)sulfonyl-2,3-dihydroindole-2-carboxylate (PubChem CID 66755963) has the molecular formula C16H13Cl2NO4S and a molecular weight of 386.26 g/mol. Its IUPAC name is methyl 1-(3,4-dichlorophenyl)sulfonyl-2,3-dihydroindole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3,4-dichlorophenyl)sulfonyl-2,3-dihydroindole-2-carboxylate
PubChem CID66755963
Molecular FormulaC16H13Cl2NO4S
Molecular Weight386.26 g/mol
Exact Mass384.99
IUPAC Namemethyl 1-(3,4-dichlorophenyl)sulfonyl-2,3-dihydroindole-2-carboxylate
SMILESCOC(=O)C1Cc2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H13Cl2NO4S/c1-23-16(20)15-8-10-4-2-3-5-14(10)19(15)24(21,22)11-6-7-12(17)13(18)9-11/h2-7,9,15H,8H2,1H3
InChIKeyNKGCLPHUWUADDY-UHFFFAOYSA-N
XLogP3.29
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.26
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(4-hydroxyphenyl)sulfonyl-2,3-dihydroindole-2-carboxylate
CID 67437069
methyl (2R)-1-(3-cyanophenyl)sulfonyl-2,3-dihydroindole-2-carboxylate
CID 94776755
1-(3,4-dichlorophenyl)sulfonyl-N-[[4-[1-(dimethylamino)-3-phenylpropyl]cyclohexyl]methyl]-2,3-dihydroindole-2-carboxamide
CID 25106887
N-[2-chloro-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]acetamide
CID 23853086
(2S)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-methyl-2,3-dihydroindole-2-carboxamide
CID 41429154
1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole-2-carboxamide
CID 16831405
(2R)-1-(4-acetamidophenyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 70189180
(2S)-1-naphthalen-2-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 164640962
methyl 1-[3-(4-chlorophenyl)sulfonylpropanoyl]-2,3-dihydroindole-2-carboxylate
CID 56556785
(2S)-1-(4-tert-butylphenyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 66845565
1-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 69213394
(2S)-1-[4-(3-chlorophenyl)phenyl]sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 69208495

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3,4-dichlorophenyl)sulfonyl-2,3-dihydroindole-2-carboxylate?
The IUPAC name of methyl 1-(3,4-dichlorophenyl)sulfonyl-2,3-dihydroindole-2-carboxylate (CID 66755963) is methyl 1-(3,4-dichlorophenyl)sulfonyl-2,3-dihydroindole-2-carboxylate.
What is the SMILES notation for methyl 1-(3,4-dichlorophenyl)sulfonyl-2,3-dihydroindole-2-carboxylate?
The canonical SMILES for methyl 1-(3,4-dichlorophenyl)sulfonyl-2,3-dihydroindole-2-carboxylate is COC(=O)C1Cc2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of methyl 1-(3,4-dichlorophenyl)sulfonyl-2,3-dihydroindole-2-carboxylate?
The InChIKey is NKGCLPHUWUADDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO4S/c1-23-16(20)15-8-10-4-2-3-5-14(10)19(15)24(21,22)11-6-7-12(17)13(18)9-11/h2-7,9,15H,8H2,1H3.
What are the key properties of methyl 1-(3,4-dichlorophenyl)sulfonyl-2,3-dihydroindole-2-carboxylate?
methyl 1-(3,4-dichlorophenyl)sulfonyl-2,3-dihydroindole-2-carboxylate has a molecular weight of 386.26 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3,4-dichlorophenyl)sulfonyl-2,3-dihydroindole-2-carboxylate is sourced from PubChem (CID 66755963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).