N-(3-chlorophenyl)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide

C16H14ClF3N2O3S — CID 2801185

IUPACN-(3-chlorophenyl)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide
SMILESCC(C)(C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C16H14ClF3N2O3S/c1-15(2,14(23)22-12-5-3-4-11(17)8-12)26(24,25)13-7-6-10(9-21-13)16(18,19)20/h3-9H,1-2H3,(H,22,23)
InChIKeyLSJPNMTUGWVRET-UHFFFAOYSA-N
MW406.81 g/mol
LogP3.94
Rot. Bonds4

About N-(3-chlorophenyl)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide

N-(3-chlorophenyl)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide (PubChem CID 2801185) has the molecular formula C16H14ClF3N2O3S and a molecular weight of 406.81 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide
PubChem CID2801185
Molecular FormulaC16H14ClF3N2O3S
Molecular Weight406.81 g/mol
Exact Mass406.04
IUPAC NameN-(3-chlorophenyl)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide
SMILESCC(C)(C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C16H14ClF3N2O3S/c1-15(2,14(23)22-12-5-3-4-11(17)8-12)26(24,25)13-7-6-10(9-21-13)16(18,19)20/h3-9H,1-2H3,(H,22,23)
InChIKeyLSJPNMTUGWVRET-UHFFFAOYSA-N
XLogP3.94
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.81
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide?
The IUPAC name of N-(3-chlorophenyl)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide (CID 2801185) is N-(3-chlorophenyl)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide?
The canonical SMILES for N-(3-chlorophenyl)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide is CC(C)(C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-(3-chlorophenyl)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide?
The InChIKey is LSJPNMTUGWVRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N2O3S/c1-15(2,14(23)22-12-5-3-4-11(17)8-12)26(24,25)13-7-6-10(9-21-13)16(18,19)20/h3-9H,1-2H3,(H,22,23).
What are the key properties of N-(3-chlorophenyl)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide?
N-(3-chlorophenyl)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide has a molecular weight of 406.81 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide is sourced from PubChem (CID 2801185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).