N-(4-chlorophenyl)sulfonyl-2-(3-fluoro-4-phenylphenyl)propanamide

C21H17ClFNO3S — CID 69411019

IUPACN-(4-chlorophenyl)sulfonyl-2-(3-fluoro-4-phenylphenyl)propanamide
SMILESCC(C(=O)NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C21H17ClFNO3S/c1-14(21(25)24-28(26,27)18-10-8-17(22)9-11-18)16-7-12-19(20(23)13-16)15-5-3-2-4-6-15/h2-14H,1H3,(H,24,25)
InChIKeyPTOPKRTXLVIPSD-UHFFFAOYSA-N
MW417.89 g/mol
LogP4.75
Rot. Bonds5

About N-(4-chlorophenyl)sulfonyl-2-(3-fluoro-4-phenylphenyl)propanamide

N-(4-chlorophenyl)sulfonyl-2-(3-fluoro-4-phenylphenyl)propanamide (PubChem CID 69411019) has the molecular formula C21H17ClFNO3S and a molecular weight of 417.89 g/mol. Its IUPAC name is N-(4-chlorophenyl)sulfonyl-2-(3-fluoro-4-phenylphenyl)propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)sulfonyl-2-(3-fluoro-4-phenylphenyl)propanamide
PubChem CID69411019
Molecular FormulaC21H17ClFNO3S
Molecular Weight417.89 g/mol
Exact Mass417.06
IUPAC NameN-(4-chlorophenyl)sulfonyl-2-(3-fluoro-4-phenylphenyl)propanamide
SMILESCC(C(=O)NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C21H17ClFNO3S/c1-14(21(25)24-28(26,27)18-10-8-17(22)9-11-18)16-7-12-19(20(23)13-16)15-5-3-2-4-6-15/h2-14H,1H3,(H,24,25)
InChIKeyPTOPKRTXLVIPSD-UHFFFAOYSA-N
XLogP4.75
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.89
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)sulfonyl-2-(3-fluoro-4-phenylphenyl)propanamide?
The IUPAC name of N-(4-chlorophenyl)sulfonyl-2-(3-fluoro-4-phenylphenyl)propanamide (CID 69411019) is N-(4-chlorophenyl)sulfonyl-2-(3-fluoro-4-phenylphenyl)propanamide.
What is the SMILES notation for N-(4-chlorophenyl)sulfonyl-2-(3-fluoro-4-phenylphenyl)propanamide?
The canonical SMILES for N-(4-chlorophenyl)sulfonyl-2-(3-fluoro-4-phenylphenyl)propanamide is CC(C(=O)NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(-c2ccccc2)c(F)c1.
What is the InChIKey of N-(4-chlorophenyl)sulfonyl-2-(3-fluoro-4-phenylphenyl)propanamide?
The InChIKey is PTOPKRTXLVIPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFNO3S/c1-14(21(25)24-28(26,27)18-10-8-17(22)9-11-18)16-7-12-19(20(23)13-16)15-5-3-2-4-6-15/h2-14H,1H3,(H,24,25).
What are the key properties of N-(4-chlorophenyl)sulfonyl-2-(3-fluoro-4-phenylphenyl)propanamide?
N-(4-chlorophenyl)sulfonyl-2-(3-fluoro-4-phenylphenyl)propanamide has a molecular weight of 417.89 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)sulfonyl-2-(3-fluoro-4-phenylphenyl)propanamide is sourced from PubChem (CID 69411019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).