4-[1-(fluoromethyl)cyclopropyl]-3-nitrobenzenesulfonamide

C10H11FN2O4S — CID 175312517

IUPAC4-[1-(fluoromethyl)cyclopropyl]-3-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2(CF)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C10H11FN2O4S/c11-6-10(3-4-10)8-2-1-7(18(12,16)17)5-9(8)13(14)15/h1-2,5H,3-4,6H2,(H2,12,16,17)
InChIKeyYWYXCYGSNRDBQC-UHFFFAOYSA-N
MW274.27 g/mol
LogP1.24
Rot. Bonds4

About 4-[1-(fluoromethyl)cyclopropyl]-3-nitrobenzenesulfonamide

4-[1-(fluoromethyl)cyclopropyl]-3-nitrobenzenesulfonamide (PubChem CID 175312517) has the molecular formula C10H11FN2O4S and a molecular weight of 274.27 g/mol. Its IUPAC name is 4-[1-(fluoromethyl)cyclopropyl]-3-nitrobenzenesulfonamide.

Molecular Properties

Compound Name4-[1-(fluoromethyl)cyclopropyl]-3-nitrobenzenesulfonamide
PubChem CID175312517
Molecular FormulaC10H11FN2O4S
Molecular Weight274.27 g/mol
Exact Mass274.04
IUPAC Name4-[1-(fluoromethyl)cyclopropyl]-3-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2(CF)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C10H11FN2O4S/c11-6-10(3-4-10)8-2-1-7(18(12,16)17)5-9(8)13(14)15/h1-2,5H,3-4,6H2,(H2,12,16,17)
InChIKeyYWYXCYGSNRDBQC-UHFFFAOYSA-N
XLogP1.24
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 51.24
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

4-[(4-fluoropiperidin-4-yl)methoxy]-3-nitrobenzenesulfonamide
CID 67126502
4-(2-aminoethoxy)-3-nitrobenzenesulfonamide
CID 62347424
4-(2-aminoethylamino)-3-nitrobenzenesulfonamide;hydrochloride
CID 155669962
[1-(2-nitrophenyl)cyclopropyl]methanamine
CID 55253012
3-nitro-4-[(1-phenylsulfanylcyclopropyl)methylamino]benzenesulfonamide
CID 133296883
3-nitro-4-(2-oxaspiro[3.5]nonan-7-ylmethylamino)benzenesulfonamide
CID 67170490
4-[(4-ethyloxan-4-yl)methylamino]-3-nitrobenzenesulfonamide
CID 90410818
4-(4-ethylpiperazin-1-yl)-3-nitrobenzenesulfonamide
CID 26455707
4-(3-chloropropylsulfonyl)-3-nitrobenzenesulfonamide
CID 66127438
4-[(4-hydroxy-4-methylcyclohexyl)-methylamino]-3-nitrobenzenesulfonamide
CID 67126671
3-nitro-4-(7-oxaspiro[3.5]nonan-2-ylmethylamino)benzenesulfonamide
CID 147332606
4-(2-bromopentan-3-yl)-3-nitrobenzenesulfonamide
CID 55163390

Frequently Asked Questions

What is the IUPAC name of 4-[1-(fluoromethyl)cyclopropyl]-3-nitrobenzenesulfonamide?
The IUPAC name of 4-[1-(fluoromethyl)cyclopropyl]-3-nitrobenzenesulfonamide (CID 175312517) is 4-[1-(fluoromethyl)cyclopropyl]-3-nitrobenzenesulfonamide.
What is the SMILES notation for 4-[1-(fluoromethyl)cyclopropyl]-3-nitrobenzenesulfonamide?
The canonical SMILES for 4-[1-(fluoromethyl)cyclopropyl]-3-nitrobenzenesulfonamide is NS(=O)(=O)c1ccc(C2(CF)CC2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-[1-(fluoromethyl)cyclopropyl]-3-nitrobenzenesulfonamide?
The InChIKey is YWYXCYGSNRDBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O4S/c11-6-10(3-4-10)8-2-1-7(18(12,16)17)5-9(8)13(14)15/h1-2,5H,3-4,6H2,(H2,12,16,17).
What are the key properties of 4-[1-(fluoromethyl)cyclopropyl]-3-nitrobenzenesulfonamide?
4-[1-(fluoromethyl)cyclopropyl]-3-nitrobenzenesulfonamide has a molecular weight of 274.27 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(fluoromethyl)cyclopropyl]-3-nitrobenzenesulfonamide is sourced from PubChem (CID 175312517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).