N-(2-aminocyclopropyl)-4-hydroxy-3-nitrobenzenesulfonamide

C9H11N3O5S — CID 43596900

IUPACN-(2-aminocyclopropyl)-4-hydroxy-3-nitrobenzenesulfonamide
SMILESNC1CC1NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C9H11N3O5S/c10-6-4-7(6)11-18(16,17)5-1-2-9(13)8(3-5)12(14)15/h1-3,6-7,11,13H,4,10H2
InChIKeyAAQCHUVLWPRGAP-UHFFFAOYSA-N
MW273.27 g/mol
LogP-0.32
Rot. Bonds4

About N-(2-aminocyclopropyl)-4-hydroxy-3-nitrobenzenesulfonamide

N-(2-aminocyclopropyl)-4-hydroxy-3-nitrobenzenesulfonamide (PubChem CID 43596900) has the molecular formula C9H11N3O5S and a molecular weight of 273.27 g/mol. Its IUPAC name is N-(2-aminocyclopropyl)-4-hydroxy-3-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminocyclopropyl)-4-hydroxy-3-nitrobenzenesulfonamide
PubChem CID43596900
Molecular FormulaC9H11N3O5S
Molecular Weight273.27 g/mol
Exact Mass273.04
IUPAC NameN-(2-aminocyclopropyl)-4-hydroxy-3-nitrobenzenesulfonamide
SMILESNC1CC1NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C9H11N3O5S/c10-6-4-7(6)11-18(16,17)5-1-2-9(13)8(3-5)12(14)15/h1-3,6-7,11,13H,4,10H2
InChIKeyAAQCHUVLWPRGAP-UHFFFAOYSA-N
XLogP-0.32
TPSA135.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-(2-aminocyclopropyl)-4-fluoro-3-nitrobenzenesulfonamide
CID 43596899
4-hydroxy-N-(2-methylcyclopentyl)-3-nitrobenzenesulfonamide
CID 63279541
N-(2-aminocyclopropyl)-3-nitrobenzenesulfonamide
CID 43596907
N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-hydroxy-3-nitrobenzenesulfonamide
CID 43597294
4-hydroxy-3-nitro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79686161
N-(2-aminocyclopropyl)-4-chloro-2-nitrobenzenesulfonamide
CID 43596895
N-(2-aminocyclopropyl)-4-fluoro-2-nitrobenzenesulfonamide
CID 43596896
4-hydroxy-N-methoxy-3-nitrobenzenesulfonamide
CID 60700422
2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]acetamide
CID 43217851
N-(2-aminocyclohexyl)-3-fluoro-4-nitrobenzenesulfonamide
CID 82844852
4-hydroxy-3-nitrobenzenesulfonyl chloride
CID 3670479
N-(3-aminocyclobutyl)-4-chloro-3-nitrobenzenesulfonamide
CID 43597673

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclopropyl)-4-hydroxy-3-nitrobenzenesulfonamide?
The IUPAC name of N-(2-aminocyclopropyl)-4-hydroxy-3-nitrobenzenesulfonamide (CID 43596900) is N-(2-aminocyclopropyl)-4-hydroxy-3-nitrobenzenesulfonamide.
What is the SMILES notation for N-(2-aminocyclopropyl)-4-hydroxy-3-nitrobenzenesulfonamide?
The canonical SMILES for N-(2-aminocyclopropyl)-4-hydroxy-3-nitrobenzenesulfonamide is NC1CC1NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of N-(2-aminocyclopropyl)-4-hydroxy-3-nitrobenzenesulfonamide?
The InChIKey is AAQCHUVLWPRGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O5S/c10-6-4-7(6)11-18(16,17)5-1-2-9(13)8(3-5)12(14)15/h1-3,6-7,11,13H,4,10H2.
What are the key properties of N-(2-aminocyclopropyl)-4-hydroxy-3-nitrobenzenesulfonamide?
N-(2-aminocyclopropyl)-4-hydroxy-3-nitrobenzenesulfonamide has a molecular weight of 273.27 g/mol, XLogP of -0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclopropyl)-4-hydroxy-3-nitrobenzenesulfonamide is sourced from PubChem (CID 43596900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).