3-[(3-acetylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide

C18H16ClF3N2O4S — CID 112790595

IUPAC3-[(3-acetylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1
InChIInChI=1S/C18H16ClF3N2O4S/c1-11(25)12-3-2-4-14(9-12)29(27,28)23-8-7-17(26)24-13-5-6-16(19)15(10-13)18(20,21)22/h2-6,9-10,23H,7-8H2,1H3,(H,24,26)
InChIKeyHDMVHYRBPUGACN-UHFFFAOYSA-N
MW448.85 g/mol
LogP3.87
Rot. Bonds7

About 3-[(3-acetylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide

3-[(3-acetylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide (PubChem CID 112790595) has the molecular formula C18H16ClF3N2O4S and a molecular weight of 448.85 g/mol. Its IUPAC name is 3-[(3-acetylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[(3-acetylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
PubChem CID112790595
Molecular FormulaC18H16ClF3N2O4S
Molecular Weight448.85 g/mol
Exact Mass448.05
IUPAC Name3-[(3-acetylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1
InChIInChI=1S/C18H16ClF3N2O4S/c1-11(25)12-3-2-4-14(9-12)29(27,28)23-8-7-17(26)24-13-5-6-16(19)15(10-13)18(20,21)22/h2-6,9-10,23H,7-8H2,1H3,(H,24,26)
InChIKeyHDMVHYRBPUGACN-UHFFFAOYSA-N
XLogP3.87
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.85
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-acetylphenyl)sulfonyl-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 17396453
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[4-(difluoromethoxy)phenyl]propanamide
CID 26800761
3-[(3-acetylphenyl)sulfonylamino]-N-(3-ethynylphenyl)propanamide
CID 36673402
methyl 4-[3-[(3-acetylphenyl)sulfonylamino]propanoylamino]-2-hydroxybenzoate
CID 166332920
N-(3-acetylphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 34830305
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2-fluorophenyl)propanamide
CID 24639635
N-tert-butyl-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 78777743
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2,5-dichlorophenyl)propanamide
CID 4843823
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 26620100
3-[(3-acetylphenyl)sulfonylamino]-N-[(4-chlorophenyl)-phenylmethyl]propanamide
CID 60522060
2-[(4-chlorophenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 126151161
N-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 33165211

Frequently Asked Questions

What is the IUPAC name of 3-[(3-acetylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-[(3-acetylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide (CID 112790595) is 3-[(3-acetylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-[(3-acetylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-[(3-acetylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide is CC(=O)c1cccc(S(=O)(=O)NCCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1.
What is the InChIKey of 3-[(3-acetylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is HDMVHYRBPUGACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N2O4S/c1-11(25)12-3-2-4-14(9-12)29(27,28)23-8-7-17(26)24-13-5-6-16(19)15(10-13)18(20,21)22/h2-6,9-10,23H,7-8H2,1H3,(H,24,26).
What are the key properties of 3-[(3-acetylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide?
3-[(3-acetylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 448.85 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-acetylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 112790595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).