2-(4-chlorophenyl)sulfonyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methylpropanamide

C17H14Cl2F3NO3S — CID 25181480

IUPAC2-(4-chlorophenyl)sulfonyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H14Cl2F3NO3S/c1-16(2,27(25,26)12-6-3-10(18)4-7-12)15(24)23-11-5-8-14(19)13(9-11)17(20,21)22/h3-9H,1-2H3,(H,23,24)
InChIKeyASGIXSFRPRVPNC-UHFFFAOYSA-N
MW440.27 g/mol
LogP5.20
Rot. Bonds4

About 2-(4-chlorophenyl)sulfonyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methylpropanamide

2-(4-chlorophenyl)sulfonyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methylpropanamide (PubChem CID 25181480) has the molecular formula C17H14Cl2F3NO3S and a molecular weight of 440.27 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methylpropanamide
PubChem CID25181480
Molecular FormulaC17H14Cl2F3NO3S
Molecular Weight440.27 g/mol
Exact Mass439.00
IUPAC Name2-(4-chlorophenyl)sulfonyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H14Cl2F3NO3S/c1-16(2,27(25,26)12-6-3-10(18)4-7-12)15(24)23-11-5-8-14(19)13(9-11)17(20,21)22/h3-9H,1-2H3,(H,23,24)
InChIKeyASGIXSFRPRVPNC-UHFFFAOYSA-N
XLogP5.20
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.27
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-(phenylsulfonyl)acetamide
CID 892315
(Z)-2-(4-chlorophenyl)sulfonyl-3-methylsulfanyl-3-[3-(trifluoromethyl)anilino]prop-2-enenitrile
CID 2819140
3-(4-Bromobenzenesulfonyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
CID 3456802
2-(4-chlorophenylsulfonyl)-2-methyl-N-(3-(trifluoromethyl)phenyl)propanamide
CID 44569507
2-(4-chlorophenylsulfonyl)-2-methyl-N-(4-(trifluoromethyl)phenyl)propanamide
CID 44569508
N-(3-chlorophenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 716758
N-(2-chlorophenyl)-2-{[3-(trifluoromethyl)phenyl]sulfonyl}acetamide
CID 1488185
N-(2,4-dichlorophenyl)-2-{[3-(trifluoromethyl)phenyl]sulfinyl}acetamide
CID 1488228
3-[(4-chlorophenyl)sulfonyl]-N-(4-ethylphenyl)propanamide
CID 3423814
N-(2-chlorophenyl)-2-{[3-(trifluoromethyl)phenyl]sulfinyl}acetamide
CID 4441219
N-(3-chloro-4-methylphenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide
CID 15989036
1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 15994795

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methylpropanamide (CID 25181480) is 2-(4-chlorophenyl)sulfonyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methylpropanamide is CC(C)(C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methylpropanamide?
The InChIKey is ASGIXSFRPRVPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2F3NO3S/c1-16(2,27(25,26)12-6-3-10(18)4-7-12)15(24)23-11-5-8-14(19)13(9-11)17(20,21)22/h3-9H,1-2H3,(H,23,24).
What are the key properties of 2-(4-chlorophenyl)sulfonyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methylpropanamide?
2-(4-chlorophenyl)sulfonyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methylpropanamide has a molecular weight of 440.27 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 25181480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).