N-(2-aminocyclopropyl)-3-nitrobenzenesulfonamide

C9H11N3O4S — CID 43596907

IUPACN-(2-aminocyclopropyl)-3-nitrobenzenesulfonamide
SMILESNC1CC1NS(=O)(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C9H11N3O4S/c10-8-5-9(8)11-17(15,16)7-3-1-2-6(4-7)12(13)14/h1-4,8-9,11H,5,10H2
InChIKeyQBADGVZENVZLBF-UHFFFAOYSA-N
MW257.27 g/mol
LogP-0.03
Rot. Bonds4

About N-(2-aminocyclopropyl)-3-nitrobenzenesulfonamide

N-(2-aminocyclopropyl)-3-nitrobenzenesulfonamide (PubChem CID 43596907) has the molecular formula C9H11N3O4S and a molecular weight of 257.27 g/mol. Its IUPAC name is N-(2-aminocyclopropyl)-3-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminocyclopropyl)-3-nitrobenzenesulfonamide
PubChem CID43596907
Molecular FormulaC9H11N3O4S
Molecular Weight257.27 g/mol
Exact Mass257.05
IUPAC NameN-(2-aminocyclopropyl)-3-nitrobenzenesulfonamide
SMILESNC1CC1NS(=O)(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C9H11N3O4S/c10-8-5-9(8)11-17(15,16)7-3-1-2-6(4-7)12(13)14/h1-4,8-9,11H,5,10H2
InChIKeyQBADGVZENVZLBF-UHFFFAOYSA-N
XLogP-0.03
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 5-0.03
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-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-nitrobenzenesulfonamide
CID 11905784
N-(2-bromocyclohexyl)-3-nitrobenzenesulfonamide
CID 106441042
N-cycloheptyl-3-nitrobenzenesulfonamide
CID 19203727
N-(2-aminocyclopropyl)-4-hydroxy-3-nitrobenzenesulfonamide
CID 43596900
N-(2-aminocyclopropyl)-4-fluoro-3-nitrobenzenesulfonamide
CID 43596899
4-[(3-nitrophenyl)sulfonylamino]oxolane-3-carboxylic acid
CID 66241480
silver 3-nitrobenzenesulfonate
CID 139842266
N'-(benzenesulfonyl)-3-nitrobenzenesulfonohydrazide
CID 100974954
N'-methyl-3-nitrobenzenesulfonohydrazide
CID 67127032
3-nitro-N-pyridin-1-ium-1-ylbenzenesulfonamide
CID 135121721
8-(3-nitrophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61235725
N-(4-bromophenyl)-3-nitrobenzenesulfonamide
CID 598510

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclopropyl)-3-nitrobenzenesulfonamide?
The IUPAC name of N-(2-aminocyclopropyl)-3-nitrobenzenesulfonamide (CID 43596907) is N-(2-aminocyclopropyl)-3-nitrobenzenesulfonamide.
What is the SMILES notation for N-(2-aminocyclopropyl)-3-nitrobenzenesulfonamide?
The canonical SMILES for N-(2-aminocyclopropyl)-3-nitrobenzenesulfonamide is NC1CC1NS(=O)(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(2-aminocyclopropyl)-3-nitrobenzenesulfonamide?
The InChIKey is QBADGVZENVZLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4S/c10-8-5-9(8)11-17(15,16)7-3-1-2-6(4-7)12(13)14/h1-4,8-9,11H,5,10H2.
What are the key properties of N-(2-aminocyclopropyl)-3-nitrobenzenesulfonamide?
N-(2-aminocyclopropyl)-3-nitrobenzenesulfonamide has a molecular weight of 257.27 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclopropyl)-3-nitrobenzenesulfonamide is sourced from PubChem (CID 43596907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).