N-methylsulfonyl-2,3-dihydro-1H-indole-2-carboxamide

C10H12N2O3S — CID 103287754

IUPACN-methylsulfonyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCS(=O)(=O)NC(=O)C1Cc2ccccc2N1
InChIInChI=1S/C10H12N2O3S/c1-16(14,15)12-10(13)9-6-7-4-2-3-5-8(7)11-9/h2-5,9,11H,6H2,1H3,(H,12,13)
InChIKeyMXZBMXMDBMJMDW-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.10
Rot. Bonds2

About N-methylsulfonyl-2,3-dihydro-1H-indole-2-carboxamide

N-methylsulfonyl-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 103287754) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is N-methylsulfonyl-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-methylsulfonyl-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID103287754
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC NameN-methylsulfonyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCS(=O)(=O)NC(=O)C1Cc2ccccc2N1
InChIInChI=1S/C10H12N2O3S/c1-16(14,15)12-10(13)9-6-7-4-2-3-5-8(7)11-9/h2-5,9,11H,6H2,1H3,(H,12,13)
InChIKeyMXZBMXMDBMJMDW-UHFFFAOYSA-N
XLogP0.10
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

example 8 [WO1999033801A1]
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(2S)-aminobutyryl-(2S)-indoline carboxylic acid methylamide
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Frequently Asked Questions

What is the IUPAC name of N-methylsulfonyl-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-methylsulfonyl-2,3-dihydro-1H-indole-2-carboxamide (CID 103287754) is N-methylsulfonyl-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-methylsulfonyl-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-methylsulfonyl-2,3-dihydro-1H-indole-2-carboxamide is CS(=O)(=O)NC(=O)C1Cc2ccccc2N1.
What is the InChIKey of N-methylsulfonyl-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is MXZBMXMDBMJMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-16(14,15)12-10(13)9-6-7-4-2-3-5-8(7)11-9/h2-5,9,11H,6H2,1H3,(H,12,13).
What are the key properties of N-methylsulfonyl-2,3-dihydro-1H-indole-2-carboxamide?
N-methylsulfonyl-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 240.28 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfonyl-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 103287754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).