N-(4-hydroxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

C16H16N2O4S — CID 1085723

IUPACN-(4-hydroxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCS(=O)(=O)N1CCc2cc(C(=O)Nc3ccc(O)cc3)ccc21
InChIInChI=1S/C16H16N2O4S/c1-23(21,22)18-9-8-11-10-12(2-7-15(11)18)16(20)17-13-3-5-14(19)6-4-13/h2-7,10,19H,8-9H2,1H3,(H,17,20)
InChIKeyCVQODQVREQLUIK-UHFFFAOYSA-N
MW332.38 g/mol
LogP1.97
Rot. Bonds3

About N-(4-hydroxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

N-(4-hydroxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (PubChem CID 1085723) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
PubChem CID1085723
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC NameN-(4-hydroxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCS(=O)(=O)N1CCc2cc(C(=O)Nc3ccc(O)cc3)ccc21
InChIInChI=1S/C16H16N2O4S/c1-23(21,22)18-9-8-11-10-12(2-7-15(11)18)16(20)17-13-3-5-14(19)6-4-13/h2-7,10,19H,8-9H2,1H3,(H,17,20)
InChIKeyCVQODQVREQLUIK-UHFFFAOYSA-N
XLogP1.97
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-(4-hydroxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (CID 1085723) is N-(4-hydroxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-(4-hydroxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is CS(=O)(=O)N1CCc2cc(C(=O)Nc3ccc(O)cc3)ccc21.
What is the InChIKey of N-(4-hydroxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is CVQODQVREQLUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-23(21,22)18-9-8-11-10-12(2-7-15(11)18)16(20)17-13-3-5-14(19)6-4-13/h2-7,10,19H,8-9H2,1H3,(H,17,20).
What are the key properties of N-(4-hydroxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
N-(4-hydroxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 332.38 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 1085723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).