4-N-[4-(furan-2-yl)pyrimidin-2-yl]benzene-1,4-disulfonamide

C14H12N4O5S2 — CID 126810505

IUPAC4-N-[4-(furan-2-yl)pyrimidin-2-yl]benzene-1,4-disulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)Nc2nccc(-c3ccco3)n2)cc1
InChIInChI=1S/C14H12N4O5S2/c15-24(19,20)10-3-5-11(6-4-10)25(21,22)18-14-16-8-7-12(17-14)13-2-1-9-23-13/h1-9H,(H2,15,19,20)(H,16,17,18)
InChIKeyTXWFRYPPUIRYKY-UHFFFAOYSA-N
MW380.41 g/mol
LogP1.18
Rot. Bonds5

About 4-N-[4-(furan-2-yl)pyrimidin-2-yl]benzene-1,4-disulfonamide

4-N-[4-(furan-2-yl)pyrimidin-2-yl]benzene-1,4-disulfonamide (PubChem CID 126810505) has the molecular formula C14H12N4O5S2 and a molecular weight of 380.41 g/mol. Its IUPAC name is 4-N-[4-(furan-2-yl)pyrimidin-2-yl]benzene-1,4-disulfonamide.

Molecular Properties

Compound Name4-N-[4-(furan-2-yl)pyrimidin-2-yl]benzene-1,4-disulfonamide
PubChem CID126810505
Molecular FormulaC14H12N4O5S2
Molecular Weight380.41 g/mol
Exact Mass380.02
IUPAC Name4-N-[4-(furan-2-yl)pyrimidin-2-yl]benzene-1,4-disulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)Nc2nccc(-c3ccco3)n2)cc1
InChIInChI=1S/C14H12N4O5S2/c15-24(19,20)10-3-5-11(6-4-10)25(21,22)18-14-16-8-7-12(17-14)13-2-1-9-23-13/h1-9H,(H2,15,19,20)(H,16,17,18)
InChIKeyTXWFRYPPUIRYKY-UHFFFAOYSA-N
XLogP1.18
TPSA145.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-difluoro-N-[2-[[4-(furan-2-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide
CID 11632320
4-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzenesulfonamide
CID 25211077
silver 4-amino-N-pyrimidin-2-ylbenzenesulfonamide
CID 6711387
bis(4-amino-N-pyrimidin-2-ylbenzenesulfonamide) dichloride
CID 18407969
4-[2-[(4-pyridin-2-ylpyrimidin-2-yl)amino]ethyl]benzenesulfonamide
CID 72844304
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 121076381
4-amino-N-(4-methylpyrimidin-2-yl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-sulfonamide
CID 71312514
4-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19498698
4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 11667571
2-[3-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19500263
N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide
CID 25331204
4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 669150

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(furan-2-yl)pyrimidin-2-yl]benzene-1,4-disulfonamide?
The IUPAC name of 4-N-[4-(furan-2-yl)pyrimidin-2-yl]benzene-1,4-disulfonamide (CID 126810505) is 4-N-[4-(furan-2-yl)pyrimidin-2-yl]benzene-1,4-disulfonamide.
What is the SMILES notation for 4-N-[4-(furan-2-yl)pyrimidin-2-yl]benzene-1,4-disulfonamide?
The canonical SMILES for 4-N-[4-(furan-2-yl)pyrimidin-2-yl]benzene-1,4-disulfonamide is NS(=O)(=O)c1ccc(S(=O)(=O)Nc2nccc(-c3ccco3)n2)cc1.
What is the InChIKey of 4-N-[4-(furan-2-yl)pyrimidin-2-yl]benzene-1,4-disulfonamide?
The InChIKey is TXWFRYPPUIRYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O5S2/c15-24(19,20)10-3-5-11(6-4-10)25(21,22)18-14-16-8-7-12(17-14)13-2-1-9-23-13/h1-9H,(H2,15,19,20)(H,16,17,18).
What are the key properties of 4-N-[4-(furan-2-yl)pyrimidin-2-yl]benzene-1,4-disulfonamide?
4-N-[4-(furan-2-yl)pyrimidin-2-yl]benzene-1,4-disulfonamide has a molecular weight of 380.41 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(furan-2-yl)pyrimidin-2-yl]benzene-1,4-disulfonamide is sourced from PubChem (CID 126810505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).