N-[(4-fluorophenyl)-(4-methylphenyl)sulfonylmethyl]formamide

C15H14FNO3S — CID 10828539

IUPACN-[(4-fluorophenyl)-(4-methylphenyl)sulfonylmethyl]formamide
SMILESCc1ccc(S(=O)(=O)C(NC=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C15H14FNO3S/c1-11-2-8-14(9-3-11)21(19,20)15(17-10-18)12-4-6-13(16)7-5-12/h2-10,15H,1H3,(H,17,18)
InChIKeyGPWSBFOCAYKXBP-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.35
Rot. Bonds5

About N-[(4-fluorophenyl)-(4-methylphenyl)sulfonylmethyl]formamide

N-[(4-fluorophenyl)-(4-methylphenyl)sulfonylmethyl]formamide (PubChem CID 10828539) has the molecular formula C15H14FNO3S and a molecular weight of 307.35 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-(4-methylphenyl)sulfonylmethyl]formamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-(4-methylphenyl)sulfonylmethyl]formamide
PubChem CID10828539
Molecular FormulaC15H14FNO3S
Molecular Weight307.35 g/mol
Exact Mass307.07
IUPAC NameN-[(4-fluorophenyl)-(4-methylphenyl)sulfonylmethyl]formamide
SMILESCc1ccc(S(=O)(=O)C(NC=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C15H14FNO3S/c1-11-2-8-14(9-3-11)21(19,20)15(17-10-18)12-4-6-13(16)7-5-12/h2-10,15H,1H3,(H,17,18)
InChIKeyGPWSBFOCAYKXBP-UHFFFAOYSA-N
XLogP2.35
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(4-fluorophenyl)-(4-methylphenyl)sulfonylmethyl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-(4-methylphenyl)sulfonylmethyl]formamide?
The IUPAC name of N-[(4-fluorophenyl)-(4-methylphenyl)sulfonylmethyl]formamide (CID 10828539) is N-[(4-fluorophenyl)-(4-methylphenyl)sulfonylmethyl]formamide.
What is the SMILES notation for N-[(4-fluorophenyl)-(4-methylphenyl)sulfonylmethyl]formamide?
The canonical SMILES for N-[(4-fluorophenyl)-(4-methylphenyl)sulfonylmethyl]formamide is Cc1ccc(S(=O)(=O)C(NC=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)-(4-methylphenyl)sulfonylmethyl]formamide?
The InChIKey is GPWSBFOCAYKXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3S/c1-11-2-8-14(9-3-11)21(19,20)15(17-10-18)12-4-6-13(16)7-5-12/h2-10,15H,1H3,(H,17,18).
What are the key properties of N-[(4-fluorophenyl)-(4-methylphenyl)sulfonylmethyl]formamide?
N-[(4-fluorophenyl)-(4-methylphenyl)sulfonylmethyl]formamide has a molecular weight of 307.35 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-(4-methylphenyl)sulfonylmethyl]formamide is sourced from PubChem (CID 10828539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).