N-[6-(1-benzothiophen-2-ylsulfonylcarbamoylamino)-3-pyridinyl]-3-fluorobenzamide

C21H15FN4O4S2 — CID 10116109

IUPACN-[6-(1-benzothiophen-2-ylsulfonylcarbamoylamino)-3-pyridinyl]-3-fluorobenzamide
SMILESO=C(Nc1ccc(NC(=O)c2cccc(F)c2)cn1)NS(=O)(=O)c1cc2ccccc2s1
InChIInChI=1S/C21H15FN4O4S2/c22-15-6-3-5-14(10-15)20(27)24-16-8-9-18(23-12-16)25-21(28)26-32(29,30)19-11-13-4-1-2-7-17(13)31-19/h1-12H,(H,24,27)(H2,23,25,26,28)
InChIKeyWDKLTIVFVLOBEH-UHFFFAOYSA-N
MW470.51 g/mol
LogP4.20
Rot. Bonds5

About N-[6-(1-benzothiophen-2-ylsulfonylcarbamoylamino)-3-pyridinyl]-3-fluorobenzamide

N-[6-(1-benzothiophen-2-ylsulfonylcarbamoylamino)-3-pyridinyl]-3-fluorobenzamide (PubChem CID 10116109) has the molecular formula C21H15FN4O4S2 and a molecular weight of 470.51 g/mol. Its IUPAC name is N-[6-(1-benzothiophen-2-ylsulfonylcarbamoylamino)-3-pyridinyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[6-(1-benzothiophen-2-ylsulfonylcarbamoylamino)-3-pyridinyl]-3-fluorobenzamide
PubChem CID10116109
Molecular FormulaC21H15FN4O4S2
Molecular Weight470.51 g/mol
Exact Mass470.05
IUPAC NameN-[6-(1-benzothiophen-2-ylsulfonylcarbamoylamino)-3-pyridinyl]-3-fluorobenzamide
SMILESO=C(Nc1ccc(NC(=O)c2cccc(F)c2)cn1)NS(=O)(=O)c1cc2ccccc2s1
InChIInChI=1S/C21H15FN4O4S2/c22-15-6-3-5-14(10-15)20(27)24-16-8-9-18(23-12-16)25-21(28)26-32(29,30)19-11-13-4-1-2-7-17(13)31-19/h1-12H,(H,24,27)(H2,23,25,26,28)
InChIKeyWDKLTIVFVLOBEH-UHFFFAOYSA-N
XLogP4.20
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.51
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(1-benzothiophen-2-ylsulfonylcarbamoylamino)-3-pyridinyl]-3-fluorobenzamide?
The IUPAC name of N-[6-(1-benzothiophen-2-ylsulfonylcarbamoylamino)-3-pyridinyl]-3-fluorobenzamide (CID 10116109) is N-[6-(1-benzothiophen-2-ylsulfonylcarbamoylamino)-3-pyridinyl]-3-fluorobenzamide.
What is the SMILES notation for N-[6-(1-benzothiophen-2-ylsulfonylcarbamoylamino)-3-pyridinyl]-3-fluorobenzamide?
The canonical SMILES for N-[6-(1-benzothiophen-2-ylsulfonylcarbamoylamino)-3-pyridinyl]-3-fluorobenzamide is O=C(Nc1ccc(NC(=O)c2cccc(F)c2)cn1)NS(=O)(=O)c1cc2ccccc2s1.
What is the InChIKey of N-[6-(1-benzothiophen-2-ylsulfonylcarbamoylamino)-3-pyridinyl]-3-fluorobenzamide?
The InChIKey is WDKLTIVFVLOBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O4S2/c22-15-6-3-5-14(10-15)20(27)24-16-8-9-18(23-12-16)25-21(28)26-32(29,30)19-11-13-4-1-2-7-17(13)31-19/h1-12H,(H,24,27)(H2,23,25,26,28).
What are the key properties of N-[6-(1-benzothiophen-2-ylsulfonylcarbamoylamino)-3-pyridinyl]-3-fluorobenzamide?
N-[6-(1-benzothiophen-2-ylsulfonylcarbamoylamino)-3-pyridinyl]-3-fluorobenzamide has a molecular weight of 470.51 g/mol, XLogP of 4.20, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-benzothiophen-2-ylsulfonylcarbamoylamino)-3-pyridinyl]-3-fluorobenzamide is sourced from PubChem (CID 10116109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).