N-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid

C17H16F3N3O5S — CID 53257039

IUPACN-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)C1CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H15N3O3S.C2HF3O2/c19-15(11-4-5-11)17-12-6-8-13(9-7-12)22(20,21)18-14-3-1-2-10-16-14;3-2(4,5)1(6)7/h1-3,6-11H,4-5H2,(H,16,18)(H,17,19);(H,6,7)
InChIKeyTXRNSXOCHQSLOW-UHFFFAOYSA-N
MW431.39 g/mol
LogP2.86
Rot. Bonds5

About N-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid

N-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid (PubChem CID 53257039) has the molecular formula C17H16F3N3O5S and a molecular weight of 431.39 g/mol. Its IUPAC name is N-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid
PubChem CID53257039
Molecular FormulaC17H16F3N3O5S
Molecular Weight431.39 g/mol
Exact Mass431.08
IUPAC NameN-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)C1CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H15N3O3S.C2HF3O2/c19-15(11-4-5-11)17-12-6-8-13(9-7-12)22(20,21)18-14-3-1-2-10-16-14;3-2(4,5)1(6)7/h1-3,6-11H,4-5H2,(H,16,18)(H,17,19);(H,6,7)
InChIKeyTXRNSXOCHQSLOW-UHFFFAOYSA-N
XLogP2.86
TPSA125.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.39
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 53257044
N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 725106
2-chloro-4-nitro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 54759172
4-[[4-(pyridin-2-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid
CID 4918646
[4-(pyridin-2-ylsulfamoyl)phenyl]thiourea
CID 87842258
N-[4-methyl-5-[4-methyl-3-(pyridin-2-ylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide;2,2,2-trifluoroacetic acid
CID 159263287
2-benzylsulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 25039698
2-chloro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 71300028
2-phenylsulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 21232687
3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
CID 19204194
3-(benzenesulfonamido)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
CID 92677705
N-[4-(pyridin-2-ylsulfamoyl)phenyl]pentanamide
CID 19176522

Frequently Asked Questions

What is the IUPAC name of N-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid (CID 53257039) is N-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid is O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)C1CC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is TXRNSXOCHQSLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S.C2HF3O2/c19-15(11-4-5-11)17-12-6-8-13(9-7-12)22(20,21)18-14-3-1-2-10-16-14;3-2(4,5)1(6)7/h1-3,6-11H,4-5H2,(H,16,18)(H,17,19);(H,6,7).
What are the key properties of N-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid?
N-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 431.39 g/mol, XLogP of 2.86, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 53257039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).