N-(4-fluoro-2-methylphenyl)sulfonylformamide

C8H8FNO3S — CID 66683159

IUPACN-(4-fluoro-2-methylphenyl)sulfonylformamide
SMILESCc1cc(F)ccc1S(=O)(=O)NC=O
InChIInChI=1S/C8H8FNO3S/c1-6-4-7(9)2-3-8(6)14(12,13)10-5-11/h2-5H,1H3,(H,10,11)
InChIKeyLPUSBYUFWIXHBK-UHFFFAOYSA-N
MW217.22 g/mol
LogP0.57
Rot. Bonds3

About N-(4-fluoro-2-methylphenyl)sulfonylformamide

N-(4-fluoro-2-methylphenyl)sulfonylformamide (PubChem CID 66683159) has the molecular formula C8H8FNO3S and a molecular weight of 217.22 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)sulfonylformamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)sulfonylformamide
PubChem CID66683159
Molecular FormulaC8H8FNO3S
Molecular Weight217.22 g/mol
Exact Mass217.02
IUPAC NameN-(4-fluoro-2-methylphenyl)sulfonylformamide
SMILESCc1cc(F)ccc1S(=O)(=O)NC=O
InChIInChI=1S/C8H8FNO3S/c1-6-4-7(9)2-3-8(6)14(12,13)10-5-11/h2-5H,1H3,(H,10,11)
InChIKeyLPUSBYUFWIXHBK-UHFFFAOYSA-N
XLogP0.57
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)sulfonylformamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)sulfonylformamide (CID 66683159) is N-(4-fluoro-2-methylphenyl)sulfonylformamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)sulfonylformamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)sulfonylformamide is Cc1cc(F)ccc1S(=O)(=O)NC=O.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)sulfonylformamide?
The InChIKey is LPUSBYUFWIXHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO3S/c1-6-4-7(9)2-3-8(6)14(12,13)10-5-11/h2-5H,1H3,(H,10,11).
What are the key properties of N-(4-fluoro-2-methylphenyl)sulfonylformamide?
N-(4-fluoro-2-methylphenyl)sulfonylformamide has a molecular weight of 217.22 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)sulfonylformamide is sourced from PubChem (CID 66683159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).