4-[4-(benzenesulfonyl)-2,2-diphenyl-3H-furan-5-yl]-N'-hydroxybenzenecarboximidamide

C29H24N2O4S — CID 75968171

IUPAC4-[4-(benzenesulfonyl)-2,2-diphenyl-3H-furan-5-yl]-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(C2=C(S(=O)(=O)c3ccccc3)CC(c3ccccc3)(c3ccccc3)O2)cc1
InChIInChI=1S/C29H24N2O4S/c30-28(31-32)22-18-16-21(17-19-22)27-26(36(33,34)25-14-8-3-9-15-25)20-29(35-27,23-10-4-1-5-11-23)24-12-6-2-7-13-24/h1-19,32H,20H2,(H2,30,31)
InChIKeyMOOXJWIZYGHVNY-UHFFFAOYSA-N
MW496.59 g/mol
LogP5.29
Rot. Bonds6

About 4-[4-(benzenesulfonyl)-2,2-diphenyl-3H-furan-5-yl]-N'-hydroxybenzenecarboximidamide

4-[4-(benzenesulfonyl)-2,2-diphenyl-3H-furan-5-yl]-N'-hydroxybenzenecarboximidamide (PubChem CID 75968171) has the molecular formula C29H24N2O4S and a molecular weight of 496.59 g/mol. Its IUPAC name is 4-[4-(benzenesulfonyl)-2,2-diphenyl-3H-furan-5-yl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[4-(benzenesulfonyl)-2,2-diphenyl-3H-furan-5-yl]-N'-hydroxybenzenecarboximidamide
PubChem CID75968171
Molecular FormulaC29H24N2O4S
Molecular Weight496.59 g/mol
Exact Mass496.15
IUPAC Name4-[4-(benzenesulfonyl)-2,2-diphenyl-3H-furan-5-yl]-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(C2=C(S(=O)(=O)c3ccccc3)CC(c3ccccc3)(c3ccccc3)O2)cc1
InChIInChI=1S/C29H24N2O4S/c30-28(31-32)22-18-16-21(17-19-22)27-26(36(33,34)25-14-8-3-9-15-25)20-29(35-27,23-10-4-1-5-11-23)24-12-6-2-7-13-24/h1-19,32H,20H2,(H2,30,31)
InChIKeyMOOXJWIZYGHVNY-UHFFFAOYSA-N
XLogP5.29
TPSA101.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.59
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-4-[4-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]sulfonyl-2,2-diphenyl-3H-furan-5-yl]anilino]benzenecarboximidamide
CID 52949717
4-[4-(4-fluorophenyl)sulfonyl-2-[4-(furan-2-yl)phenyl]-2-methyl-3H-furan-5-yl]-N'-hydroxybenzenecarboximidamide
CID 118717341
4-[2-ethyl-4-(4-fluorophenyl)sulfonyl-2-(2-methoxyphenyl)-3H-furan-5-yl]-N'-hydroxybenzenecarboximidamide
CID 118717278
N'-hydroxy-4-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide
CID 135407879
4-(benzenesulfonyl)-2,2-diphenoxy-5-phenyl-3H-furan
CID 10983557
N'-hydroxy-4-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide
CID 71745689
N'-hydroxybenzenecarboximidamide
CID 142861747
N'-hydroxybenzenecarboximidamide;pentahydrate
CID 174367022
N'-hydroxy-4-(phenylsulfamoyl)benzenecarboximidamide
CID 89392412
N'-hydroxy-4-(4-hydroxyphenyl)benzenecarboximidamide
CID 4071161
N'-(4-methylphenyl)sulfonyl-4-phenylbenzenecarboximidamide
CID 171485898
N'-hydroxy-4-sulfamoylbenzenecarboximidamide;hydrochloride
CID 24834739

Frequently Asked Questions

What is the IUPAC name of 4-[4-(benzenesulfonyl)-2,2-diphenyl-3H-furan-5-yl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[4-(benzenesulfonyl)-2,2-diphenyl-3H-furan-5-yl]-N'-hydroxybenzenecarboximidamide (CID 75968171) is 4-[4-(benzenesulfonyl)-2,2-diphenyl-3H-furan-5-yl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[4-(benzenesulfonyl)-2,2-diphenyl-3H-furan-5-yl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[4-(benzenesulfonyl)-2,2-diphenyl-3H-furan-5-yl]-N'-hydroxybenzenecarboximidamide is NC(=NO)c1ccc(C2=C(S(=O)(=O)c3ccccc3)CC(c3ccccc3)(c3ccccc3)O2)cc1.
What is the InChIKey of 4-[4-(benzenesulfonyl)-2,2-diphenyl-3H-furan-5-yl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is MOOXJWIZYGHVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O4S/c30-28(31-32)22-18-16-21(17-19-22)27-26(36(33,34)25-14-8-3-9-15-25)20-29(35-27,23-10-4-1-5-11-23)24-12-6-2-7-13-24/h1-19,32H,20H2,(H2,30,31).
What are the key properties of 4-[4-(benzenesulfonyl)-2,2-diphenyl-3H-furan-5-yl]-N'-hydroxybenzenecarboximidamide?
4-[4-(benzenesulfonyl)-2,2-diphenyl-3H-furan-5-yl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 496.59 g/mol, XLogP of 5.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(benzenesulfonyl)-2,2-diphenyl-3H-furan-5-yl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 75968171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).