5-[cyclopropyl-[(4-fluorophenyl)methyl]sulfamoyl]-2-pyrazol-1-ylthiophene-3-carboxamide

C18H17FN4O3S2 — CID 141436316

IUPAC5-[cyclopropyl-[(4-fluorophenyl)methyl]sulfamoyl]-2-pyrazol-1-ylthiophene-3-carboxamide
SMILESNC(=O)c1cc(S(=O)(=O)N(Cc2ccc(F)cc2)C2CC2)sc1-n1cccn1
InChIInChI=1S/C18H17FN4O3S2/c19-13-4-2-12(3-5-13)11-23(14-6-7-14)28(25,26)16-10-15(17(20)24)18(27-16)22-9-1-8-21-22/h1-5,8-10,14H,6-7,11H2,(H2,20,24)
InChIKeyGVPATBZTFORIFT-UHFFFAOYSA-N
MW420.49 g/mol
LogP2.53
Rot. Bonds7

About 5-[cyclopropyl-[(4-fluorophenyl)methyl]sulfamoyl]-2-pyrazol-1-ylthiophene-3-carboxamide

5-[cyclopropyl-[(4-fluorophenyl)methyl]sulfamoyl]-2-pyrazol-1-ylthiophene-3-carboxamide (PubChem CID 141436316) has the molecular formula C18H17FN4O3S2 and a molecular weight of 420.49 g/mol. Its IUPAC name is 5-[cyclopropyl-[(4-fluorophenyl)methyl]sulfamoyl]-2-pyrazol-1-ylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-[cyclopropyl-[(4-fluorophenyl)methyl]sulfamoyl]-2-pyrazol-1-ylthiophene-3-carboxamide
PubChem CID141436316
Molecular FormulaC18H17FN4O3S2
Molecular Weight420.49 g/mol
Exact Mass420.07
IUPAC Name5-[cyclopropyl-[(4-fluorophenyl)methyl]sulfamoyl]-2-pyrazol-1-ylthiophene-3-carboxamide
SMILESNC(=O)c1cc(S(=O)(=O)N(Cc2ccc(F)cc2)C2CC2)sc1-n1cccn1
InChIInChI=1S/C18H17FN4O3S2/c19-13-4-2-12(3-5-13)11-23(14-6-7-14)28(25,26)16-10-15(17(20)24)18(27-16)22-9-1-8-21-22/h1-5,8-10,14H,6-7,11H2,(H2,20,24)
InChIKeyGVPATBZTFORIFT-UHFFFAOYSA-N
XLogP2.53
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropyl-[(4-fluorophenyl)methyl]sulfamoyl]-2-pyrazol-1-ylthiophene-3-carboxamide?
The IUPAC name of 5-[cyclopropyl-[(4-fluorophenyl)methyl]sulfamoyl]-2-pyrazol-1-ylthiophene-3-carboxamide (CID 141436316) is 5-[cyclopropyl-[(4-fluorophenyl)methyl]sulfamoyl]-2-pyrazol-1-ylthiophene-3-carboxamide.
What is the SMILES notation for 5-[cyclopropyl-[(4-fluorophenyl)methyl]sulfamoyl]-2-pyrazol-1-ylthiophene-3-carboxamide?
The canonical SMILES for 5-[cyclopropyl-[(4-fluorophenyl)methyl]sulfamoyl]-2-pyrazol-1-ylthiophene-3-carboxamide is NC(=O)c1cc(S(=O)(=O)N(Cc2ccc(F)cc2)C2CC2)sc1-n1cccn1.
What is the InChIKey of 5-[cyclopropyl-[(4-fluorophenyl)methyl]sulfamoyl]-2-pyrazol-1-ylthiophene-3-carboxamide?
The InChIKey is GVPATBZTFORIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3S2/c19-13-4-2-12(3-5-13)11-23(14-6-7-14)28(25,26)16-10-15(17(20)24)18(27-16)22-9-1-8-21-22/h1-5,8-10,14H,6-7,11H2,(H2,20,24).
What are the key properties of 5-[cyclopropyl-[(4-fluorophenyl)methyl]sulfamoyl]-2-pyrazol-1-ylthiophene-3-carboxamide?
5-[cyclopropyl-[(4-fluorophenyl)methyl]sulfamoyl]-2-pyrazol-1-ylthiophene-3-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropyl-[(4-fluorophenyl)methyl]sulfamoyl]-2-pyrazol-1-ylthiophene-3-carboxamide is sourced from PubChem (CID 141436316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).