N-(2-chloro-4-fluorophenyl)-3-(4-methylphenyl)sulfonylpropanamide

C16H15ClFNO3S — CID 4101953

IUPACN-(2-chloro-4-fluorophenyl)-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C16H15ClFNO3S/c1-11-2-5-13(6-3-11)23(21,22)9-8-16(20)19-15-7-4-12(18)10-14(15)17/h2-7,10H,8-9H2,1H3,(H,19,20)
InChIKeyMUDJLOJIYQVKSQ-UHFFFAOYSA-N
MW355.82 g/mol
LogP3.59
Rot. Bonds5

About N-(2-chloro-4-fluorophenyl)-3-(4-methylphenyl)sulfonylpropanamide

N-(2-chloro-4-fluorophenyl)-3-(4-methylphenyl)sulfonylpropanamide (PubChem CID 4101953) has the molecular formula C16H15ClFNO3S and a molecular weight of 355.82 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-3-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-3-(4-methylphenyl)sulfonylpropanamide
PubChem CID4101953
Molecular FormulaC16H15ClFNO3S
Molecular Weight355.82 g/mol
Exact Mass355.04
IUPAC NameN-(2-chloro-4-fluorophenyl)-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C16H15ClFNO3S/c1-11-2-5-13(6-3-11)23(21,22)9-8-16(20)19-15-7-4-12(18)10-14(15)17/h2-7,10H,8-9H2,1H3,(H,19,20)
InChIKeyMUDJLOJIYQVKSQ-UHFFFAOYSA-N
XLogP3.59
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylphenyl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 8702322
3-(4-chlorophenyl)sulfonyl-N-(2,4-dichlorophenyl)propanamide
CID 26589989
N-(4-bromo-2-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 4101952
N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 9438977
N-(2-chloro-4-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 30854882
N-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 9216116
N-(2-chloro-4-fluorophenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 30431439
3-[(2-chloro-5-fluorophenyl)sulfonylamino]-N-(2-chloro-4-methylphenyl)propanamide
CID 86888312
N-(2-benzoyl-4-methylphenyl)-2-[3-(4-fluorophenyl)sulfonylpropanoylamino]benzamide
CID 44994815
3-(benzenesulfonyl)-N-(2,4-dimethylphenyl)propanamide
CID 17310093
N-(2-bromophenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 4547649
N-(2-chloro-4-fluorophenyl)-2-(2,5-dimethylanilino)acetamide
CID 9079599

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-3-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-3-(4-methylphenyl)sulfonylpropanamide (CID 4101953) is N-(2-chloro-4-fluorophenyl)-3-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-3-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-3-(4-methylphenyl)sulfonylpropanamide is Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(F)cc2Cl)cc1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-3-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is MUDJLOJIYQVKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO3S/c1-11-2-5-13(6-3-11)23(21,22)9-8-16(20)19-15-7-4-12(18)10-14(15)17/h2-7,10H,8-9H2,1H3,(H,19,20).
What are the key properties of N-(2-chloro-4-fluorophenyl)-3-(4-methylphenyl)sulfonylpropanamide?
N-(2-chloro-4-fluorophenyl)-3-(4-methylphenyl)sulfonylpropanamide has a molecular weight of 355.82 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-3-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 4101953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).