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

C17H15ClF3NO4S — CID 4301032

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methoxyphenyl)sulfonylpropanamide
SMILESCOc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H15ClF3NO4S/c1-26-12-3-5-13(6-4-12)27(24,25)9-8-16(23)22-11-2-7-15(18)14(10-11)17(19,20)21/h2-7,10H,8-9H2,1H3,(H,22,23)
InChIKeyFHFSCHWZXCLCNU-UHFFFAOYSA-N
MW421.82 g/mol
LogP4.17
Rot. Bonds6

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

N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methoxyphenyl)sulfonylpropanamide (PubChem CID 4301032) has the molecular formula C17H15ClF3NO4S and a molecular weight of 421.82 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methoxyphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methoxyphenyl)sulfonylpropanamide
PubChem CID4301032
Molecular FormulaC17H15ClF3NO4S
Molecular Weight421.82 g/mol
Exact Mass421.04
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methoxyphenyl)sulfonylpropanamide
SMILESCOc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H15ClF3NO4S/c1-26-12-3-5-13(6-4-12)27(24,25)9-8-16(23)22-11-2-7-15(18)14(10-11)17(19,20)21/h2-7,10H,8-9H2,1H3,(H,22,23)
InChIKeyFHFSCHWZXCLCNU-UHFFFAOYSA-N
XLogP4.17
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.82
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022550
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 92670451
N-(3-acetylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 4112435
N-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonylbutanamide
CID 41273900
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 100751352
3-(4-chlorophenyl)sulfonyl-N-(3,4-dimethoxyphenyl)propanamide
CID 46797612
N-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 41324012
2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(4-methoxyphenyl)acetamide
CID 1100023
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide
CID 21367107
4-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)butanamide
CID 41273873
N-[[4-[4-chloro-3-(trifluoromethyl)anilino]-4-oxobutan-2-ylidene]amino]-4-methoxybenzamide
CID 5153354
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypentanamide
CID 79017846

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methoxyphenyl)sulfonylpropanamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methoxyphenyl)sulfonylpropanamide (CID 4301032) is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methoxyphenyl)sulfonylpropanamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methoxyphenyl)sulfonylpropanamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methoxyphenyl)sulfonylpropanamide is COc1ccc(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-methoxyphenyl)sulfonylpropanamide?
The InChIKey is FHFSCHWZXCLCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3NO4S/c1-26-12-3-5-13(6-4-12)27(24,25)9-8-16(23)22-11-2-7-15(18)14(10-11)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-methoxyphenyl)sulfonylpropanamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methoxyphenyl)sulfonylpropanamide has a molecular weight of 421.82 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methoxyphenyl)sulfonylpropanamide is sourced from PubChem (CID 4301032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).