N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide

C17H15ClF3NO3S — CID 4547647

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H15ClF3NO3S/c1-11-2-5-13(6-3-11)26(24,25)9-8-16(23)22-12-4-7-15(18)14(10-12)17(19,20)21/h2-7,10H,8-9H2,1H3,(H,22,23)
InChIKeyJNGVXERIOZVLRW-UHFFFAOYSA-N
MW405.83 g/mol
LogP4.47
Rot. Bonds5

About N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide (PubChem CID 4547647) has the molecular formula C17H15ClF3NO3S and a molecular weight of 405.83 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide
PubChem CID4547647
Molecular FormulaC17H15ClF3NO3S
Molecular Weight405.83 g/mol
Exact Mass405.04
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H15ClF3NO3S/c1-11-2-5-13(6-3-11)26(24,25)9-8-16(23)22-12-4-7-15(18)14(10-12)17(19,20)21/h2-7,10H,8-9H2,1H3,(H,22,23)
InChIKeyJNGVXERIOZVLRW-UHFFFAOYSA-N
XLogP4.47
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.83
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide (CID 4547647) is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide is Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is JNGVXERIOZVLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3NO3S/c1-11-2-5-13(6-3-11)26(24,25)9-8-16(23)22-12-4-7-15(18)14(10-12)17(19,20)21/h2-7,10H,8-9H2,1H3,(H,22,23).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide has a molecular weight of 405.83 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 4547647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).