4-amino-5-methylthiophene-2-sulfonamide;7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C20H16F5N5O4S2 — CID 162621802

IUPAC4-amino-5-methylthiophene-2-sulfonamide;7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCc1sc(S(N)(=O)=O)cc1N.O=C(O)c1cnn2c(C(F)F)cc(-c3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C15H8F5N3O2.C5H8N2O2S2/c16-12(17)11-5-10(7-1-3-8(4-2-7)15(18,19)20)22-13-9(14(24)25)6-21-23(11)13;1-3-4(6)2-5(10-3)11(7,8)9/h1-6,12H,(H,24,25);2H,6H2,1H3,(H2,7,8,9)
InChIKeyKZRKSHREYAOXOB-UHFFFAOYSA-N
MW549.50 g/mol
LogP4.34
Rot. Bonds4

About 4-amino-5-methylthiophene-2-sulfonamide;7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

4-amino-5-methylthiophene-2-sulfonamide;7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 162621802) has the molecular formula C20H16F5N5O4S2 and a molecular weight of 549.50 g/mol. Its IUPAC name is 4-amino-5-methylthiophene-2-sulfonamide;7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-5-methylthiophene-2-sulfonamide;7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID162621802
Molecular FormulaC20H16F5N5O4S2
Molecular Weight549.50 g/mol
Exact Mass549.06
IUPAC Name4-amino-5-methylthiophene-2-sulfonamide;7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCc1sc(S(N)(=O)=O)cc1N.O=C(O)c1cnn2c(C(F)F)cc(-c3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C15H8F5N3O2.C5H8N2O2S2/c16-12(17)11-5-10(7-1-3-8(4-2-7)15(18,19)20)22-13-9(14(24)25)6-21-23(11)13;1-3-4(6)2-5(10-3)11(7,8)9/h1-6,12H,(H,24,25);2H,6H2,1H3,(H2,7,8,9)
InChIKeyKZRKSHREYAOXOB-UHFFFAOYSA-N
XLogP4.34
TPSA153.67 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.50
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methylthiophene-2-sulfonamide;7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 4-amino-5-methylthiophene-2-sulfonamide;7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 162621802) is 4-amino-5-methylthiophene-2-sulfonamide;7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 4-amino-5-methylthiophene-2-sulfonamide;7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 4-amino-5-methylthiophene-2-sulfonamide;7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is Cc1sc(S(N)(=O)=O)cc1N.O=C(O)c1cnn2c(C(F)F)cc(-c3ccc(C(F)(F)F)cc3)nc12.
What is the InChIKey of 4-amino-5-methylthiophene-2-sulfonamide;7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is KZRKSHREYAOXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F5N3O2.C5H8N2O2S2/c16-12(17)11-5-10(7-1-3-8(4-2-7)15(18,19)20)22-13-9(14(24)25)6-21-23(11)13;1-3-4(6)2-5(10-3)11(7,8)9/h1-6,12H,(H,24,25);2H,6H2,1H3,(H2,7,8,9).
What are the key properties of 4-amino-5-methylthiophene-2-sulfonamide;7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
4-amino-5-methylthiophene-2-sulfonamide;7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 549.50 g/mol, XLogP of 4.34, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methylthiophene-2-sulfonamide;7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 162621802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).