1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindole-6-carboxylic acid

C18H19NO5S — CID 59483802

IUPAC1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindole-6-carboxylic acid
SMILESCOc1cc(C)c(S(=O)(=O)N2CCc3ccc(C(=O)O)cc32)c(C)c1
InChIInChI=1S/C18H19NO5S/c1-11-8-15(24-3)9-12(2)17(11)25(22,23)19-7-6-13-4-5-14(18(20)21)10-16(13)19/h4-5,8-10H,6-7H2,1-3H3,(H,20,21)
InChIKeyCVQBIFJVPXCNKR-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.76
Rot. Bonds4

About 1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindole-6-carboxylic acid

1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindole-6-carboxylic acid (PubChem CID 59483802) has the molecular formula C18H19NO5S and a molecular weight of 361.42 g/mol. Its IUPAC name is 1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindole-6-carboxylic acid.

Molecular Properties

Compound Name1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindole-6-carboxylic acid
PubChem CID59483802
Molecular FormulaC18H19NO5S
Molecular Weight361.42 g/mol
Exact Mass361.10
IUPAC Name1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindole-6-carboxylic acid
SMILESCOc1cc(C)c(S(=O)(=O)N2CCc3ccc(C(=O)O)cc32)c(C)c1
InChIInChI=1S/C18H19NO5S/c1-11-8-15(24-3)9-12(2)17(11)25(22,23)19-7-6-13-4-5-14(18(20)21)10-16(13)19/h4-5,8-10H,6-7H2,1-3H3,(H,20,21)
InChIKeyCVQBIFJVPXCNKR-UHFFFAOYSA-N
XLogP2.76
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindole-6-carboxylic acid?
The IUPAC name of 1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindole-6-carboxylic acid (CID 59483802) is 1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindole-6-carboxylic acid.
What is the SMILES notation for 1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindole-6-carboxylic acid?
The canonical SMILES for 1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindole-6-carboxylic acid is COc1cc(C)c(S(=O)(=O)N2CCc3ccc(C(=O)O)cc32)c(C)c1.
What is the InChIKey of 1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindole-6-carboxylic acid?
The InChIKey is CVQBIFJVPXCNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5S/c1-11-8-15(24-3)9-12(2)17(11)25(22,23)19-7-6-13-4-5-14(18(20)21)10-16(13)19/h4-5,8-10H,6-7H2,1-3H3,(H,20,21).
What are the key properties of 1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindole-6-carboxylic acid?
1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindole-6-carboxylic acid has a molecular weight of 361.42 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindole-6-carboxylic acid is sourced from PubChem (CID 59483802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).