N-[1-(2-fluorophenyl)pyrazol-4-yl]sulfonyl-1-methylpyrrole-2-carboxamide

C15H13FN4O3S — CID 71869330

IUPACN-[1-(2-fluorophenyl)pyrazol-4-yl]sulfonyl-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NS(=O)(=O)c1cnn(-c2ccccc2F)c1
InChIInChI=1S/C15H13FN4O3S/c1-19-8-4-7-14(19)15(21)18-24(22,23)11-9-17-20(10-11)13-6-3-2-5-12(13)16/h2-10H,1H3,(H,18,21)
InChIKeyDVFNURNWGXNHSZ-UHFFFAOYSA-N
MW348.36 g/mol
LogP1.47
Rot. Bonds4

About N-[1-(2-fluorophenyl)pyrazol-4-yl]sulfonyl-1-methylpyrrole-2-carboxamide

N-[1-(2-fluorophenyl)pyrazol-4-yl]sulfonyl-1-methylpyrrole-2-carboxamide (PubChem CID 71869330) has the molecular formula C15H13FN4O3S and a molecular weight of 348.36 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)pyrazol-4-yl]sulfonyl-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)pyrazol-4-yl]sulfonyl-1-methylpyrrole-2-carboxamide
PubChem CID71869330
Molecular FormulaC15H13FN4O3S
Molecular Weight348.36 g/mol
Exact Mass348.07
IUPAC NameN-[1-(2-fluorophenyl)pyrazol-4-yl]sulfonyl-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NS(=O)(=O)c1cnn(-c2ccccc2F)c1
InChIInChI=1S/C15H13FN4O3S/c1-19-8-4-7-14(19)15(21)18-24(22,23)11-9-17-20(10-11)13-6-3-2-5-12(13)16/h2-10H,1H3,(H,18,21)
InChIKeyDVFNURNWGXNHSZ-UHFFFAOYSA-N
XLogP1.47
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)pyrazol-4-yl]sulfonyl-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[1-(2-fluorophenyl)pyrazol-4-yl]sulfonyl-1-methylpyrrole-2-carboxamide (CID 71869330) is N-[1-(2-fluorophenyl)pyrazol-4-yl]sulfonyl-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)pyrazol-4-yl]sulfonyl-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[1-(2-fluorophenyl)pyrazol-4-yl]sulfonyl-1-methylpyrrole-2-carboxamide is Cn1cccc1C(=O)NS(=O)(=O)c1cnn(-c2ccccc2F)c1.
What is the InChIKey of N-[1-(2-fluorophenyl)pyrazol-4-yl]sulfonyl-1-methylpyrrole-2-carboxamide?
The InChIKey is DVFNURNWGXNHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O3S/c1-19-8-4-7-14(19)15(21)18-24(22,23)11-9-17-20(10-11)13-6-3-2-5-12(13)16/h2-10H,1H3,(H,18,21).
What are the key properties of N-[1-(2-fluorophenyl)pyrazol-4-yl]sulfonyl-1-methylpyrrole-2-carboxamide?
N-[1-(2-fluorophenyl)pyrazol-4-yl]sulfonyl-1-methylpyrrole-2-carboxamide has a molecular weight of 348.36 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)pyrazol-4-yl]sulfonyl-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 71869330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).