N-cyclopropyl-2-fluoro-4-nitrobenzenesulfonamide

C9H9FN2O4S — CID 61060866

IUPACN-cyclopropyl-2-fluoro-4-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)NC2CC2)c(F)c1
InChIInChI=1S/C9H9FN2O4S/c10-8-5-7(12(13)14)3-4-9(8)17(15,16)11-6-1-2-6/h3-6,11H,1-2H2
InChIKeyCSEXMPUTTJQKTF-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.17
Rot. Bonds4

About N-cyclopropyl-2-fluoro-4-nitrobenzenesulfonamide

N-cyclopropyl-2-fluoro-4-nitrobenzenesulfonamide (PubChem CID 61060866) has the molecular formula C9H9FN2O4S and a molecular weight of 260.25 g/mol. Its IUPAC name is N-cyclopropyl-2-fluoro-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-2-fluoro-4-nitrobenzenesulfonamide
PubChem CID61060866
Molecular FormulaC9H9FN2O4S
Molecular Weight260.25 g/mol
Exact Mass260.03
IUPAC NameN-cyclopropyl-2-fluoro-4-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)NC2CC2)c(F)c1
InChIInChI=1S/C9H9FN2O4S/c10-8-5-7(12(13)14)3-4-9(8)17(15,16)11-6-1-2-6/h3-6,11H,1-2H2
InChIKeyCSEXMPUTTJQKTF-UHFFFAOYSA-N
XLogP1.17
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.17
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-[2-(cyclopropylamino)ethyl]-2-fluoro-4-nitrobenzenesulfonamide
CID 62664624
2-fluoro-N-methoxy-4-nitrobenzenesulfonamide
CID 61072233
4-chloro-N-cyclopropyl-2-nitrobenzenesulfonamide
CID 5188456
2-chloro-N-cyclohexyl-5-nitrobenzenesulfonamide
CID 4115562
N-cyclobutyl-2-(ethylamino)-4-nitrobenzenesulfonamide
CID 62413872
4-(aminomethyl)-N-cyclopropyl-2-fluorobenzenesulfonamide
CID 79190542
2-fluoro-4-nitro-N-prop-2-ynylbenzenesulfonamide
CID 54978632
N-cyclohexyl-2-hydrazinyl-5-nitrobenzenesulfonamide
CID 43142170
(2-fluoro-4-nitrophenyl)-trimethyl-λ4-sulfane
CID 126615200
2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]-4-nitrobenzenesulfonamide
CID 103918620
2-methyl-N-(3-methylcyclopentyl)-5-nitrobenzenesulfonamide
CID 114545232
N-[2-(cyclopropylamino)ethyl]-2-fluoro-5-nitrobenzenesulfonamide
CID 62664263

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-fluoro-4-nitrobenzenesulfonamide?
The IUPAC name of N-cyclopropyl-2-fluoro-4-nitrobenzenesulfonamide (CID 61060866) is N-cyclopropyl-2-fluoro-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-2-fluoro-4-nitrobenzenesulfonamide?
The canonical SMILES for N-cyclopropyl-2-fluoro-4-nitrobenzenesulfonamide is O=[N+]([O-])c1ccc(S(=O)(=O)NC2CC2)c(F)c1.
What is the InChIKey of N-cyclopropyl-2-fluoro-4-nitrobenzenesulfonamide?
The InChIKey is CSEXMPUTTJQKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O4S/c10-8-5-7(12(13)14)3-4-9(8)17(15,16)11-6-1-2-6/h3-6,11H,1-2H2.
What are the key properties of N-cyclopropyl-2-fluoro-4-nitrobenzenesulfonamide?
N-cyclopropyl-2-fluoro-4-nitrobenzenesulfonamide has a molecular weight of 260.25 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-fluoro-4-nitrobenzenesulfonamide is sourced from PubChem (CID 61060866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).