N-methyl-1-(4-nitro-2,3-dihydro-1H-inden-2-yl)methanesulfonamide

C11H14N2O4S — CID 71648194

IUPACN-methyl-1-(4-nitro-2,3-dihydro-1H-inden-2-yl)methanesulfonamide
SMILESCNS(=O)(=O)CC1Cc2cccc([N+](=O)[O-])c2C1
InChIInChI=1S/C11H14N2O4S/c1-12-18(16,17)7-8-5-9-3-2-4-11(13(14)15)10(9)6-8/h2-4,8,12H,5-7H2,1H3
InChIKeyAXOVWQAWEDJUQU-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.86
Rot. Bonds4

About N-methyl-1-(4-nitro-2,3-dihydro-1H-inden-2-yl)methanesulfonamide

N-methyl-1-(4-nitro-2,3-dihydro-1H-inden-2-yl)methanesulfonamide (PubChem CID 71648194) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is N-methyl-1-(4-nitro-2,3-dihydro-1H-inden-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-methyl-1-(4-nitro-2,3-dihydro-1H-inden-2-yl)methanesulfonamide
PubChem CID71648194
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC NameN-methyl-1-(4-nitro-2,3-dihydro-1H-inden-2-yl)methanesulfonamide
SMILESCNS(=O)(=O)CC1Cc2cccc([N+](=O)[O-])c2C1
InChIInChI=1S/C11H14N2O4S/c1-12-18(16,17)7-8-5-9-3-2-4-11(13(14)15)10(9)6-8/h2-4,8,12H,5-7H2,1H3
InChIKeyAXOVWQAWEDJUQU-UHFFFAOYSA-N
XLogP0.86
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-1-[(2S)-4-nitro-2,3-dihydro-1H-inden-2-yl]methanesulfonamide
CID 97170187
[(2R)-4-nitro-2,3-dihydro-1H-inden-2-yl]methanesulfonamide
CID 97169062
methyl (2R)-4-nitro-2,3-dihydro-1H-indene-2-carboxylate
CID 95479919
5-nitro-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 10846656
(2R)-2-bromo-3,3-difluoro-7-nitro-1,2-dihydroindene
CID 125485498
6-nitro-1,5-dihydro-2,4-benzodioxepin-3-one
CID 170549355
N,2-dimethyl-6-nitrobenzenesulfonamide
CID 43446418
N-(methylsulfamoyl)-2-nitroaniline
CID 127505599
N-methyl-2-[1-(2-nitrophenyl)ethylamino]ethanesulfonamide
CID 102676019
N-cyclopropyl-2-methylsulfonyl-6-nitroaniline
CID 67431788
(1R,10R)-11-[(3-bromophenyl)methyl]-7-nitro-11-azatricyclo[8.2.2.03,8]tetradeca-3(8),4,6-triene
CID 25019318
3-methyl-5-nitro-3,4-dihydro-2H-naphthalen-1-one
CID 22719036

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-nitro-2,3-dihydro-1H-inden-2-yl)methanesulfonamide?
The IUPAC name of N-methyl-1-(4-nitro-2,3-dihydro-1H-inden-2-yl)methanesulfonamide (CID 71648194) is N-methyl-1-(4-nitro-2,3-dihydro-1H-inden-2-yl)methanesulfonamide.
What is the SMILES notation for N-methyl-1-(4-nitro-2,3-dihydro-1H-inden-2-yl)methanesulfonamide?
The canonical SMILES for N-methyl-1-(4-nitro-2,3-dihydro-1H-inden-2-yl)methanesulfonamide is CNS(=O)(=O)CC1Cc2cccc([N+](=O)[O-])c2C1.
What is the InChIKey of N-methyl-1-(4-nitro-2,3-dihydro-1H-inden-2-yl)methanesulfonamide?
The InChIKey is AXOVWQAWEDJUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-12-18(16,17)7-8-5-9-3-2-4-11(13(14)15)10(9)6-8/h2-4,8,12H,5-7H2,1H3.
What are the key properties of N-methyl-1-(4-nitro-2,3-dihydro-1H-inden-2-yl)methanesulfonamide?
N-methyl-1-(4-nitro-2,3-dihydro-1H-inden-2-yl)methanesulfonamide has a molecular weight of 270.31 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-nitro-2,3-dihydro-1H-inden-2-yl)methanesulfonamide is sourced from PubChem (CID 71648194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).