1-(4-fluorophenyl)sulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrole-3-carboxamide

C15H13FN4O4S — CID 146501032

IUPAC1-(4-fluorophenyl)sulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrole-3-carboxamide
SMILESCc1noc(CNC(=O)c2ccn(S(=O)(=O)c3ccc(F)cc3)c2)n1
InChIInChI=1S/C15H13FN4O4S/c1-10-18-14(24-19-10)8-17-15(21)11-6-7-20(9-11)25(22,23)13-4-2-12(16)3-5-13/h2-7,9H,8H2,1H3,(H,17,21)
InChIKeyDNZXBUFDMRDMOX-UHFFFAOYSA-N
MW364.36 g/mol
LogP1.49
Rot. Bonds5

About 1-(4-fluorophenyl)sulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrole-3-carboxamide

1-(4-fluorophenyl)sulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrole-3-carboxamide (PubChem CID 146501032) has the molecular formula C15H13FN4O4S and a molecular weight of 364.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrole-3-carboxamide
PubChem CID146501032
Molecular FormulaC15H13FN4O4S
Molecular Weight364.36 g/mol
Exact Mass364.06
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrole-3-carboxamide
SMILESCc1noc(CNC(=O)c2ccn(S(=O)(=O)c3ccc(F)cc3)c2)n1
InChIInChI=1S/C15H13FN4O4S/c1-10-18-14(24-19-10)8-17-15(21)11-6-7-20(9-11)25(22,23)13-4-2-12(16)3-5-13/h2-7,9H,8H2,1H3,(H,17,21)
InChIKeyDNZXBUFDMRDMOX-UHFFFAOYSA-N
XLogP1.49
TPSA107.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-methylphenyl)sulfonyl-N-[(2-methylpyrimidin-5-yl)methyl]pyrrole-3-carboxamide
CID 146501012
1-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 146501073
1-(4-methylphenyl)sulfonyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrrole-3-carboxamide
CID 146501054
2-bromo-4-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 54903528
3-amino-4-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 61139818
N-[2-(methylamino)propyl]-1-(4-methylphenyl)sulfonylpyrrole-3-carboxamide
CID 120830377
5-(4-fluorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 70890699
3-iodo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 61400580
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylbenzenesulfonamide
CID 110293556
3-hydroxy-4-iodo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 104627817
2-fluoro-6-hydroxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 104917845
1-(4-ethylphenyl)sulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602176

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrole-3-carboxamide (CID 146501032) is 1-(4-fluorophenyl)sulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrole-3-carboxamide is Cc1noc(CNC(=O)c2ccn(S(=O)(=O)c3ccc(F)cc3)c2)n1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrole-3-carboxamide?
The InChIKey is DNZXBUFDMRDMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O4S/c1-10-18-14(24-19-10)8-17-15(21)11-6-7-20(9-11)25(22,23)13-4-2-12(16)3-5-13/h2-7,9H,8H2,1H3,(H,17,21).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrole-3-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrole-3-carboxamide has a molecular weight of 364.36 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrole-3-carboxamide is sourced from PubChem (CID 146501032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).