N-(4-fluorophenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide

C16H18FN3O4S — CID 17411880

IUPACN-(4-fluorophenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H18FN3O4S/c1-19-11-14(25(22,23)20-6-8-24-9-7-20)10-15(19)16(21)18-13-4-2-12(17)3-5-13/h2-5,10-11H,6-9H2,1H3,(H,18,21)
InChIKeySJGYJABXEJMEDQ-UHFFFAOYSA-N
MW367.40 g/mol
LogP1.44
Rot. Bonds4

About N-(4-fluorophenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide

N-(4-fluorophenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide (PubChem CID 17411880) has the molecular formula C16H18FN3O4S and a molecular weight of 367.40 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
PubChem CID17411880
Molecular FormulaC16H18FN3O4S
Molecular Weight367.40 g/mol
Exact Mass367.10
IUPAC NameN-(4-fluorophenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H18FN3O4S/c1-19-11-14(25(22,23)20-6-8-24-9-7-20)10-15(19)16(21)18-13-4-2-12(17)3-5-13/h2-5,10-11H,6-9H2,1H3,(H,18,21)
InChIKeySJGYJABXEJMEDQ-UHFFFAOYSA-N
XLogP1.44
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide (CID 17411880) is N-(4-fluorophenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide is Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
The InChIKey is SJGYJABXEJMEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O4S/c1-19-11-14(25(22,23)20-6-8-24-9-7-20)10-15(19)16(21)18-13-4-2-12(17)3-5-13/h2-5,10-11H,6-9H2,1H3,(H,18,21).
What are the key properties of N-(4-fluorophenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
N-(4-fluorophenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide has a molecular weight of 367.40 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 17411880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).