1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole-2-carboxamide

C16H16N2O4S — CID 16831405

IUPAC1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2c3ccccc3CC2C(N)=O)cc1
InChIInChI=1S/C16H16N2O4S/c1-22-12-6-8-13(9-7-12)23(20,21)18-14-5-3-2-4-11(14)10-15(18)16(17)19/h2-9,15H,10H2,1H3,(H2,17,19)
InChIKeyVONYCUAYPZLJBR-UHFFFAOYSA-N
MW332.38 g/mol
LogP1.30
Rot. Bonds4

About 1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole-2-carboxamide

1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole-2-carboxamide (PubChem CID 16831405) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole-2-carboxamide
PubChem CID16831405
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Name1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2c3ccccc3CC2C(N)=O)cc1
InChIInChI=1S/C16H16N2O4S/c1-22-12-6-8-13(9-7-12)23(20,21)18-14-5-3-2-4-11(14)10-15(18)16(17)19/h2-9,15H,10H2,1H3,(H2,17,19)
InChIKeyVONYCUAYPZLJBR-UHFFFAOYSA-N
XLogP1.30
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-2-yl] carbamate
CID 22941889
(2S)-1-(4-propylphenyl)sulfonyl-2,3-dihydroindole-2-carboxamide
CID 60606512
methyl 1-(4-hydroxyphenyl)sulfonyl-2,3-dihydroindole-2-carboxylate
CID 67437069
(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
1-(6-methoxynaphthalen-2-yl)sulfonyl-2-methyl-2,3-dihydroindole
CID 56727561
(2S)-1-(4-tert-butylphenyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 66845565
(2S)-1-naphthalen-2-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 164640962
1-(4-methylphenyl)sulfonyl-2-prop-1-en-2-yl-2,3-dihydroindole
CID 10519271
(2R)-1-(4-acetamidophenyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 70189180
methyl 1-(3,4-dichlorophenyl)sulfonyl-2,3-dihydroindole-2-carboxylate
CID 66755963
(2S)-1-(2,5-dibromophenyl)sulfonyl-2,3-dihydroindole-2-carboxamide
CID 60606488

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole-2-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole-2-carboxamide (CID 16831405) is 1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole-2-carboxamide is COc1ccc(S(=O)(=O)N2c3ccccc3CC2C(N)=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole-2-carboxamide?
The InChIKey is VONYCUAYPZLJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-22-12-6-8-13(9-7-12)23(20,21)18-14-5-3-2-4-11(14)10-15(18)16(17)19/h2-9,15H,10H2,1H3,(H2,17,19).
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole-2-carboxamide?
1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole-2-carboxamide has a molecular weight of 332.38 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 16831405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).