[(2R)-4-nitro-2,3-dihydro-1H-inden-2-yl]methanesulfonamide

C10H12N2O4S — CID 97169062

IUPAC[(2R)-4-nitro-2,3-dihydro-1H-inden-2-yl]methanesulfonamide
SMILESNS(=O)(=O)C[C@@H]1Cc2cccc([N+](=O)[O-])c2C1
InChIInChI=1S/C10H12N2O4S/c11-17(15,16)6-7-4-8-2-1-3-10(12(13)14)9(8)5-7/h1-3,7H,4-6H2,(H2,11,15,16)/t7-/m1/s1
InChIKeyXVVRFGHSKBTGGX-SSDOTTSWSA-N
MW256.28 g/mol
LogP0.60
Rot. Bonds3

About [(2R)-4-nitro-2,3-dihydro-1H-inden-2-yl]methanesulfonamide

[(2R)-4-nitro-2,3-dihydro-1H-inden-2-yl]methanesulfonamide (PubChem CID 97169062) has the molecular formula C10H12N2O4S and a molecular weight of 256.28 g/mol. Its IUPAC name is [(2R)-4-nitro-2,3-dihydro-1H-inden-2-yl]methanesulfonamide.

Molecular Properties

Compound Name[(2R)-4-nitro-2,3-dihydro-1H-inden-2-yl]methanesulfonamide
PubChem CID97169062
Molecular FormulaC10H12N2O4S
Molecular Weight256.28 g/mol
Exact Mass256.05
IUPAC Name[(2R)-4-nitro-2,3-dihydro-1H-inden-2-yl]methanesulfonamide
SMILESNS(=O)(=O)C[C@@H]1Cc2cccc([N+](=O)[O-])c2C1
InChIInChI=1S/C10H12N2O4S/c11-17(15,16)6-7-4-8-2-1-3-10(12(13)14)9(8)5-7/h1-3,7H,4-6H2,(H2,11,15,16)/t7-/m1/s1
InChIKeyXVVRFGHSKBTGGX-SSDOTTSWSA-N
XLogP0.60
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 50.60
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-methyl-1-(4-nitro-2,3-dihydro-1H-inden-2-yl)methanesulfonamide
CID 71648194
N-cyclopropyl-1-[(2S)-4-nitro-2,3-dihydro-1H-inden-2-yl]methanesulfonamide
CID 97170187
[1-(2-chloro-6-nitrophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682362
methyl (2R)-4-nitro-2,3-dihydro-1H-indene-2-carboxylate
CID 95479919
3-nitro-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]benzoic acid
CID 168682248
[1-(4-fluoro-2-nitrophenyl)piperidin-4-yl]methanesulfonamide
CID 56805189
5-nitro-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 10846656
6-nitro-1,5-dihydro-2,4-benzodioxepin-3-one
CID 170549355
(2R)-2-bromo-3,3-difluoro-7-nitro-1,2-dihydroindene
CID 125485498
(2,3-dinitrophenyl)methanesulfonamide
CID 90109286
(4-nitro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)methyl carbamate
CID 68516274
2-hydroxy-4-nitro-2,3-dihydroinden-1-one
CID 154380962

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-nitro-2,3-dihydro-1H-inden-2-yl]methanesulfonamide?
The IUPAC name of [(2R)-4-nitro-2,3-dihydro-1H-inden-2-yl]methanesulfonamide (CID 97169062) is [(2R)-4-nitro-2,3-dihydro-1H-inden-2-yl]methanesulfonamide.
What is the SMILES notation for [(2R)-4-nitro-2,3-dihydro-1H-inden-2-yl]methanesulfonamide?
The canonical SMILES for [(2R)-4-nitro-2,3-dihydro-1H-inden-2-yl]methanesulfonamide is NS(=O)(=O)C[C@@H]1Cc2cccc([N+](=O)[O-])c2C1.
What is the InChIKey of [(2R)-4-nitro-2,3-dihydro-1H-inden-2-yl]methanesulfonamide?
The InChIKey is XVVRFGHSKBTGGX-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H12N2O4S/c11-17(15,16)6-7-4-8-2-1-3-10(12(13)14)9(8)5-7/h1-3,7H,4-6H2,(H2,11,15,16)/t7-/m1/s1.
What are the key properties of [(2R)-4-nitro-2,3-dihydro-1H-inden-2-yl]methanesulfonamide?
[(2R)-4-nitro-2,3-dihydro-1H-inden-2-yl]methanesulfonamide has a molecular weight of 256.28 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-nitro-2,3-dihydro-1H-inden-2-yl]methanesulfonamide is sourced from PubChem (CID 97169062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).