5-[4-[3-[(4-fluorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide

C18H21FN4O7S2 — CID 55691954

IUPAC5-[4-[3-[(4-fluorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide
SMILESNC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CCNS(=O)(=O)c3ccc(F)cc3)CC2)o1
InChIInChI=1S/C18H21FN4O7S2/c19-13-1-3-14(4-2-13)31(26,27)21-8-7-16(24)22-9-11-23(12-10-22)32(28,29)17-6-5-15(30-17)18(20)25/h1-6,21H,7-12H2,(H2,20,25)
InChIKeyWGNPWVBJPQSUSB-UHFFFAOYSA-N
MW488.52 g/mol
LogP-0.28
Rot. Bonds8

About 5-[4-[3-[(4-fluorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide

5-[4-[3-[(4-fluorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide (PubChem CID 55691954) has the molecular formula C18H21FN4O7S2 and a molecular weight of 488.52 g/mol. Its IUPAC name is 5-[4-[3-[(4-fluorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[4-[3-[(4-fluorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide
PubChem CID55691954
Molecular FormulaC18H21FN4O7S2
Molecular Weight488.52 g/mol
Exact Mass488.08
IUPAC Name5-[4-[3-[(4-fluorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide
SMILESNC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CCNS(=O)(=O)c3ccc(F)cc3)CC2)o1
InChIInChI=1S/C18H21FN4O7S2/c19-13-1-3-14(4-2-13)31(26,27)21-8-7-16(24)22-9-11-23(12-10-22)32(28,29)17-6-5-15(30-17)18(20)25/h1-6,21H,7-12H2,(H2,20,25)
InChIKeyWGNPWVBJPQSUSB-UHFFFAOYSA-N
XLogP-0.28
TPSA160.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.52
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-4-propan-2-ylbenzenesulfonamide
CID 24537452
5-[4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-1-yl]sulfonylfuran-2-carboxamide
CID 120981052
2-[1-[3-[(4-fluorophenyl)sulfonylamino]propanoyl]piperidin-4-yl]acetic acid
CID 119178388
5-[4-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide
CID 55691867
5-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]sulfonylfuran-2-carboxamide
CID 46455552
5-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]sulfonylfuran-2-carboxamide
CID 126777213
3,4-difluoro-N-[3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 24546937
4-fluoro-N-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide;hydrochloride
CID 119576233
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-morpholin-4-ylbutane-1,4-dione
CID 18208683
4-fluoro-N-[3-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-3-oxopropyl]benzenesulfonamide
CID 55956692
5-[4-(4-aminobenzoyl)piperazin-1-yl]sulfonylfuran-2-carboxamide
CID 119733816
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-4-fluorobenzenesulfonamide
CID 17192158

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-[(4-fluorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide?
The IUPAC name of 5-[4-[3-[(4-fluorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide (CID 55691954) is 5-[4-[3-[(4-fluorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide.
What is the SMILES notation for 5-[4-[3-[(4-fluorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide?
The canonical SMILES for 5-[4-[3-[(4-fluorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide is NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CCNS(=O)(=O)c3ccc(F)cc3)CC2)o1.
What is the InChIKey of 5-[4-[3-[(4-fluorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide?
The InChIKey is WGNPWVBJPQSUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O7S2/c19-13-1-3-14(4-2-13)31(26,27)21-8-7-16(24)22-9-11-23(12-10-22)32(28,29)17-6-5-15(30-17)18(20)25/h1-6,21H,7-12H2,(H2,20,25).
What are the key properties of 5-[4-[3-[(4-fluorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide?
5-[4-[3-[(4-fluorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide has a molecular weight of 488.52 g/mol, XLogP of -0.28, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-[(4-fluorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide is sourced from PubChem (CID 55691954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).