1-(furan-2-ylmethyl)-3-[4-(sulfamoylamino)phenyl]urea

C12H14N4O4S — CID 71273628

IUPAC1-(furan-2-ylmethyl)-3-[4-(sulfamoylamino)phenyl]urea
SMILESNS(=O)(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1
InChIInChI=1S/C12H14N4O4S/c13-21(18,19)16-10-5-3-9(4-6-10)15-12(17)14-8-11-2-1-7-20-11/h1-7,16H,8H2,(H2,13,18,19)(H2,14,15,17)
InChIKeyFCCKSKICSSQMGH-UHFFFAOYSA-N
MW310.34 g/mol
LogP1.22
Rot. Bonds5

About 1-(furan-2-ylmethyl)-3-[4-(sulfamoylamino)phenyl]urea

1-(furan-2-ylmethyl)-3-[4-(sulfamoylamino)phenyl]urea (PubChem CID 71273628) has the molecular formula C12H14N4O4S and a molecular weight of 310.34 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-[4-(sulfamoylamino)phenyl]urea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-[4-(sulfamoylamino)phenyl]urea
PubChem CID71273628
Molecular FormulaC12H14N4O4S
Molecular Weight310.34 g/mol
Exact Mass310.07
IUPAC Name1-(furan-2-ylmethyl)-3-[4-(sulfamoylamino)phenyl]urea
SMILESNS(=O)(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1
InChIInChI=1S/C12H14N4O4S/c13-21(18,19)16-10-5-3-9(4-6-10)15-12(17)14-8-11-2-1-7-20-11/h1-7,16H,8H2,(H2,13,18,19)(H2,14,15,17)
InChIKeyFCCKSKICSSQMGH-UHFFFAOYSA-N
XLogP1.22
TPSA126.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 51.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-[4-(sulfamoylamino)phenyl]urea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-[4-(sulfamoylamino)phenyl]urea (CID 71273628) is 1-(furan-2-ylmethyl)-3-[4-(sulfamoylamino)phenyl]urea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-[4-(sulfamoylamino)phenyl]urea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-[4-(sulfamoylamino)phenyl]urea is NS(=O)(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-[4-(sulfamoylamino)phenyl]urea?
The InChIKey is FCCKSKICSSQMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4S/c13-21(18,19)16-10-5-3-9(4-6-10)15-12(17)14-8-11-2-1-7-20-11/h1-7,16H,8H2,(H2,13,18,19)(H2,14,15,17).
What are the key properties of 1-(furan-2-ylmethyl)-3-[4-(sulfamoylamino)phenyl]urea?
1-(furan-2-ylmethyl)-3-[4-(sulfamoylamino)phenyl]urea has a molecular weight of 310.34 g/mol, XLogP of 1.22, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-[4-(sulfamoylamino)phenyl]urea is sourced from PubChem (CID 71273628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).