(2-fluoroanilino) benzenesulfonate

C12H10FNO3S — CID 57261347

IUPAC(2-fluoroanilino) benzenesulfonate
SMILESO=S(=O)(ONc1ccccc1F)c1ccccc1
InChIInChI=1S/C12H10FNO3S/c13-11-8-4-5-9-12(11)14-17-18(15,16)10-6-2-1-3-7-10/h1-9,14H
InChIKeyHYKURDWXTULGKU-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.56
Rot. Bonds4

About (2-fluoroanilino) benzenesulfonate

(2-fluoroanilino) benzenesulfonate (PubChem CID 57261347) has the molecular formula C12H10FNO3S and a molecular weight of 267.28 g/mol. Its IUPAC name is (2-fluoroanilino) benzenesulfonate.

Molecular Properties

Compound Name(2-fluoroanilino) benzenesulfonate
PubChem CID57261347
Molecular FormulaC12H10FNO3S
Molecular Weight267.28 g/mol
Exact Mass267.04
IUPAC Name(2-fluoroanilino) benzenesulfonate
SMILESO=S(=O)(ONc1ccccc1F)c1ccccc1
InChIInChI=1S/C12H10FNO3S/c13-11-8-4-5-9-12(11)14-17-18(15,16)10-6-2-1-3-7-10/h1-9,14H
InChIKeyHYKURDWXTULGKU-UHFFFAOYSA-N
XLogP2.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

fluoro benzenesulfonate
CID 145272167
[[6-(benzenesulfonyloxyamino)cyclohexa-1,5-dien-1-yl]amino] benzenesulfonate
CID 91405583
2-[(4-methylphenyl)sulfonyloxyamino]benzoic acid
CID 15210078
(2-methoxyanilino) 4-aminobenzenesulfonate
CID 88734298
(cyclohexen-1-ylamino) benzenesulfonate
CID 91196759
(carbamoylamino) benzenesulfonate;hydrate
CID 174585607
(cyclododecen-1-ylamino) benzenesulfonate
CID 91037986
(cycloocten-1-ylamino) benzenesulfonate
CID 91274866
3-fluoro-N-(2-fluorophenyl)pyridine-2-sulfonamide
CID 103299037
CID 170847208
CID 170847208
anilino 4-nitrobenzenesulfonate
CID 24975818
N-(2-fluorophenyl)-1-phenylmethanesulfonamide
CID 669256

Frequently Asked Questions

What is the IUPAC name of (2-fluoroanilino) benzenesulfonate?
The IUPAC name of (2-fluoroanilino) benzenesulfonate (CID 57261347) is (2-fluoroanilino) benzenesulfonate.
What is the SMILES notation for (2-fluoroanilino) benzenesulfonate?
The canonical SMILES for (2-fluoroanilino) benzenesulfonate is O=S(=O)(ONc1ccccc1F)c1ccccc1.
What is the InChIKey of (2-fluoroanilino) benzenesulfonate?
The InChIKey is HYKURDWXTULGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO3S/c13-11-8-4-5-9-12(11)14-17-18(15,16)10-6-2-1-3-7-10/h1-9,14H.
What are the key properties of (2-fluoroanilino) benzenesulfonate?
(2-fluoroanilino) benzenesulfonate has a molecular weight of 267.28 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoroanilino) benzenesulfonate is sourced from PubChem (CID 57261347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).