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

C16H15NO5S — CID 67437069

IUPACmethyl 1-(4-hydroxyphenyl)sulfonyl-2,3-dihydroindole-2-carboxylate
SMILESCOC(=O)C1Cc2ccccc2N1S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C16H15NO5S/c1-22-16(19)15-10-11-4-2-3-5-14(11)17(15)23(20,21)13-8-6-12(18)7-9-13/h2-9,15,18H,10H2,1H3
InChIKeyHWDSADRHTIDRDU-UHFFFAOYSA-N
MW333.37 g/mol
LogP1.69
Rot. Bonds3

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

methyl 1-(4-hydroxyphenyl)sulfonyl-2,3-dihydroindole-2-carboxylate (PubChem CID 67437069) has the molecular formula C16H15NO5S and a molecular weight of 333.37 g/mol. Its IUPAC name is methyl 1-(4-hydroxyphenyl)sulfonyl-2,3-dihydroindole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-hydroxyphenyl)sulfonyl-2,3-dihydroindole-2-carboxylate
PubChem CID67437069
Molecular FormulaC16H15NO5S
Molecular Weight333.37 g/mol
Exact Mass333.07
IUPAC Namemethyl 1-(4-hydroxyphenyl)sulfonyl-2,3-dihydroindole-2-carboxylate
SMILESCOC(=O)C1Cc2ccccc2N1S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C16H15NO5S/c1-22-16(19)15-10-11-4-2-3-5-14(11)17(15)23(20,21)13-8-6-12(18)7-9-13/h2-9,15,18H,10H2,1H3
InChIKeyHWDSADRHTIDRDU-UHFFFAOYSA-N
XLogP1.69
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(3,4-dichlorophenyl)sulfonyl-2,3-dihydroindole-2-carboxylate
CID 66755963
methyl (2R)-1-(3-cyanophenyl)sulfonyl-2,3-dihydroindole-2-carboxylate
CID 94776755
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-(4-tert-butylphenyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 66845565
(2S)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 66845806
N-hydroxy-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonyl-2,3-dihydroindole-2-carboxamide
CID 18714977
methyl 4-(4-hydroxyphenyl)sulfonyl-1-(4-methylphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate
CID 18612959
1-(4-methylphenyl)sulfonyl-2-prop-1-en-2-yl-2,3-dihydroindole
CID 10519271
methyl (2R)-1,4-bis-(4-methylphenyl)sulfonyl-2,3-dihydroquinoxaline-2-carboxylate
CID 134935183
methyl 1-benzoyl-4-(4-hydroxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate
CID 18612749
4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenol
CID 43135503

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-hydroxyphenyl)sulfonyl-2,3-dihydroindole-2-carboxylate?
The IUPAC name of methyl 1-(4-hydroxyphenyl)sulfonyl-2,3-dihydroindole-2-carboxylate (CID 67437069) is methyl 1-(4-hydroxyphenyl)sulfonyl-2,3-dihydroindole-2-carboxylate.
What is the SMILES notation for methyl 1-(4-hydroxyphenyl)sulfonyl-2,3-dihydroindole-2-carboxylate?
The canonical SMILES for methyl 1-(4-hydroxyphenyl)sulfonyl-2,3-dihydroindole-2-carboxylate is COC(=O)C1Cc2ccccc2N1S(=O)(=O)c1ccc(O)cc1.
What is the InChIKey of methyl 1-(4-hydroxyphenyl)sulfonyl-2,3-dihydroindole-2-carboxylate?
The InChIKey is HWDSADRHTIDRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5S/c1-22-16(19)15-10-11-4-2-3-5-14(11)17(15)23(20,21)13-8-6-12(18)7-9-13/h2-9,15,18H,10H2,1H3.
What are the key properties of methyl 1-(4-hydroxyphenyl)sulfonyl-2,3-dihydroindole-2-carboxylate?
methyl 1-(4-hydroxyphenyl)sulfonyl-2,3-dihydroindole-2-carboxylate has a molecular weight of 333.37 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-hydroxyphenyl)sulfonyl-2,3-dihydroindole-2-carboxylate is sourced from PubChem (CID 67437069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).