N-[(1R,2R)-2-aminocyclopentyl]-2-nitrobenzenesulfonamide

C11H15N3O4S — CID 95037971

IUPACN-[(1R,2R)-2-aminocyclopentyl]-2-nitrobenzenesulfonamide
SMILESN[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O4S/c12-8-4-3-5-9(8)13-19(17,18)11-7-2-1-6-10(11)14(15)16/h1-2,6-9,13H,3-5,12H2/t8-,9-/m1/s1
InChIKeyCMUXYGLKZHRJGV-RKDXNWHRSA-N
MW285.32 g/mol
LogP0.75
Rot. Bonds4

About N-[(1R,2R)-2-aminocyclopentyl]-2-nitrobenzenesulfonamide

N-[(1R,2R)-2-aminocyclopentyl]-2-nitrobenzenesulfonamide (PubChem CID 95037971) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is N-[(1R,2R)-2-aminocyclopentyl]-2-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-aminocyclopentyl]-2-nitrobenzenesulfonamide
PubChem CID95037971
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC NameN-[(1R,2R)-2-aminocyclopentyl]-2-nitrobenzenesulfonamide
SMILESN[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O4S/c12-8-4-3-5-9(8)13-19(17,18)11-7-2-1-6-10(11)14(15)16/h1-2,6-9,13H,3-5,12H2/t8-,9-/m1/s1
InChIKeyCMUXYGLKZHRJGV-RKDXNWHRSA-N
XLogP0.75
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(1S,2S)-2-hydroxycyclohexyl]-2-nitrobenzenesulfonamide
CID 101369255
N-(2-chlorocyclohexyl)-2-nitrobenzenesulfonamide
CID 106441995
N-(2-aminocyclohexyl)-4-chloro-2-nitrobenzenesulfonamide
CID 61037370
N-(2-aminocyclohexyl)-3-fluoro-4-nitrobenzenesulfonamide
CID 82844852
N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-nitrobenzenesulfonamide
CID 6547002
2-nitro-N-(thian-4-yl)benzenesulfonamide
CID 70967975
N-[(1R,2R)-2-aminocycloheptyl]-4-nitrobenzenesulfonamide
CID 86814144
N-[(1R,2R)-2-aminocyclohexyl]-2-cyanobenzenesulfonamide
CID 93453364
2-nitro-N-(1-oxothian-4-yl)benzenesulfonamide
CID 139050589
N-[(1R,2S)-2-(aminomethyl)cyclohexyl]-2-fluoro-6-nitrobenzenesulfonamide
CID 99850284
N-(2-bromocyclohexyl)-2-methyl-3-nitrobenzenesulfonamide
CID 106441017
N-(2-aminocyclopropyl)-4-chloro-2-nitrobenzenesulfonamide
CID 43596895

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-aminocyclopentyl]-2-nitrobenzenesulfonamide?
The IUPAC name of N-[(1R,2R)-2-aminocyclopentyl]-2-nitrobenzenesulfonamide (CID 95037971) is N-[(1R,2R)-2-aminocyclopentyl]-2-nitrobenzenesulfonamide.
What is the SMILES notation for N-[(1R,2R)-2-aminocyclopentyl]-2-nitrobenzenesulfonamide?
The canonical SMILES for N-[(1R,2R)-2-aminocyclopentyl]-2-nitrobenzenesulfonamide is N[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[(1R,2R)-2-aminocyclopentyl]-2-nitrobenzenesulfonamide?
The InChIKey is CMUXYGLKZHRJGV-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H15N3O4S/c12-8-4-3-5-9(8)13-19(17,18)11-7-2-1-6-10(11)14(15)16/h1-2,6-9,13H,3-5,12H2/t8-,9-/m1/s1.
What are the key properties of N-[(1R,2R)-2-aminocyclopentyl]-2-nitrobenzenesulfonamide?
N-[(1R,2R)-2-aminocyclopentyl]-2-nitrobenzenesulfonamide has a molecular weight of 285.32 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-aminocyclopentyl]-2-nitrobenzenesulfonamide is sourced from PubChem (CID 95037971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).