N-(2,4-dimethylphenyl)sulfonyl-4-fluorobenzamide

C15H14FNO3S — CID 2147257

IUPACN-(2,4-dimethylphenyl)sulfonyl-4-fluorobenzamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C15H14FNO3S/c1-10-3-8-14(11(2)9-10)21(19,20)17-15(18)12-4-6-13(16)7-5-12/h3-9H,1-2H3,(H,17,18)
InChIKeySEVMVKLRFMEXSN-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.56
Rot. Bonds3

About N-(2,4-dimethylphenyl)sulfonyl-4-fluorobenzamide

N-(2,4-dimethylphenyl)sulfonyl-4-fluorobenzamide (PubChem CID 2147257) has the molecular formula C15H14FNO3S and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)sulfonyl-4-fluorobenzamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)sulfonyl-4-fluorobenzamide
PubChem CID2147257
Molecular FormulaC15H14FNO3S
Molecular Weight307.35 g/mol
Exact Mass307.07
IUPAC NameN-(2,4-dimethylphenyl)sulfonyl-4-fluorobenzamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C15H14FNO3S/c1-10-3-8-14(11(2)9-10)21(19,20)17-15(18)12-4-6-13(16)7-5-12/h3-9H,1-2H3,(H,17,18)
InChIKeySEVMVKLRFMEXSN-UHFFFAOYSA-N
XLogP2.56
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,4-dimethylphenyl)sulfonyl-4-fluorobenzamide 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-(2,4-dimethylphenyl)sulfonyl-4-fluorobenzamide?
The IUPAC name of N-(2,4-dimethylphenyl)sulfonyl-4-fluorobenzamide (CID 2147257) is N-(2,4-dimethylphenyl)sulfonyl-4-fluorobenzamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)sulfonyl-4-fluorobenzamide?
The canonical SMILES for N-(2,4-dimethylphenyl)sulfonyl-4-fluorobenzamide is Cc1ccc(S(=O)(=O)NC(=O)c2ccc(F)cc2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)sulfonyl-4-fluorobenzamide?
The InChIKey is SEVMVKLRFMEXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3S/c1-10-3-8-14(11(2)9-10)21(19,20)17-15(18)12-4-6-13(16)7-5-12/h3-9H,1-2H3,(H,17,18).
What are the key properties of N-(2,4-dimethylphenyl)sulfonyl-4-fluorobenzamide?
N-(2,4-dimethylphenyl)sulfonyl-4-fluorobenzamide has a molecular weight of 307.35 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)sulfonyl-4-fluorobenzamide is sourced from PubChem (CID 2147257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).