N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-3-(4-methylpyrazol-1-yl)propanamide

C15H13F3N4O3S — CID 60554520

IUPACN-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-3-(4-methylpyrazol-1-yl)propanamide
SMILESCc1cnn(CCC(=O)NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1
InChIInChI=1S/C15H13F3N4O3S/c1-10-8-20-22(9-10)5-4-14(23)21-26(24,25)12-3-2-11(7-19)13(6-12)15(16,17)18/h2-3,6,8-9H,4-5H2,1H3,(H,21,23)
InChIKeyYQTQNIGKFWUYBU-UHFFFAOYSA-N
MW386.36 g/mol
LogP1.98
Rot. Bonds5

About N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-3-(4-methylpyrazol-1-yl)propanamide

N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-3-(4-methylpyrazol-1-yl)propanamide (PubChem CID 60554520) has the molecular formula C15H13F3N4O3S and a molecular weight of 386.36 g/mol. Its IUPAC name is N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-3-(4-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-3-(4-methylpyrazol-1-yl)propanamide
PubChem CID60554520
Molecular FormulaC15H13F3N4O3S
Molecular Weight386.36 g/mol
Exact Mass386.07
IUPAC NameN-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-3-(4-methylpyrazol-1-yl)propanamide
SMILESCc1cnn(CCC(=O)NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1
InChIInChI=1S/C15H13F3N4O3S/c1-10-8-20-22(9-10)5-4-14(23)21-26(24,25)12-3-2-11(7-19)13(6-12)15(16,17)18/h2-3,6,8-9H,4-5H2,1H3,(H,21,23)
InChIKeyYQTQNIGKFWUYBU-UHFFFAOYSA-N
XLogP1.98
TPSA104.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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4-pyrazol-1-yl-N-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)butanamide
CID 72022024
4-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
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N-ethyl-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 52821337
(Z)-3-(4-fluorophenyl)-N-(1-methylpyrazol-4-yl)sulfonylbut-2-enamide
CID 53595992
N-[3-(4-methylpyrazol-1-yl)propyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
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3-cyano-N-ethyl-4-fluoro-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 60246121
N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-3-(1-methylpyrazol-4-yl)propanamide
CID 60527559
3-cyano-4-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 63239128
3-cyano-4-fluoro-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 63239529
N-(3-fluoro-5-methylphenyl)sulfonyl-3-pyrazol-1-ylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-3-(4-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-3-(4-methylpyrazol-1-yl)propanamide (CID 60554520) is N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-3-(4-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-3-(4-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-3-(4-methylpyrazol-1-yl)propanamide is Cc1cnn(CCC(=O)NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1.
What is the InChIKey of N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-3-(4-methylpyrazol-1-yl)propanamide?
The InChIKey is YQTQNIGKFWUYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O3S/c1-10-8-20-22(9-10)5-4-14(23)21-26(24,25)12-3-2-11(7-19)13(6-12)15(16,17)18/h2-3,6,8-9H,4-5H2,1H3,(H,21,23).
What are the key properties of N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-3-(4-methylpyrazol-1-yl)propanamide?
N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-3-(4-methylpyrazol-1-yl)propanamide has a molecular weight of 386.36 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-3-(4-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 60554520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).