N-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl]-4-(hydrazinecarbonyl)benzenesulfonamide

C25H22N4O4S — CID 11532986

IUPACN-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl]-4-(hydrazinecarbonyl)benzenesulfonamide
SMILESNNC(=O)c1ccc(S(=O)(=O)NCCc2c(-c3cc4ccccc4o3)[nH]c3ccccc23)cc1
InChIInChI=1S/C25H22N4O4S/c26-29-25(30)16-9-11-18(12-10-16)34(31,32)27-14-13-20-19-6-2-3-7-21(19)28-24(20)23-15-17-5-1-4-8-22(17)33-23/h1-12,15,27-28H,13-14,26H2,(H,29,30)
InChIKeyOMNXIFNMZCZTDR-UHFFFAOYSA-N
MW474.54 g/mol
LogP3.71
Rot. Bonds7

About N-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl]-4-(hydrazinecarbonyl)benzenesulfonamide

N-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl]-4-(hydrazinecarbonyl)benzenesulfonamide (PubChem CID 11532986) has the molecular formula C25H22N4O4S and a molecular weight of 474.54 g/mol. Its IUPAC name is N-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl]-4-(hydrazinecarbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl]-4-(hydrazinecarbonyl)benzenesulfonamide
PubChem CID11532986
Molecular FormulaC25H22N4O4S
Molecular Weight474.54 g/mol
Exact Mass474.14
IUPAC NameN-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl]-4-(hydrazinecarbonyl)benzenesulfonamide
SMILESNNC(=O)c1ccc(S(=O)(=O)NCCc2c(-c3cc4ccccc4o3)[nH]c3ccccc23)cc1
InChIInChI=1S/C25H22N4O4S/c26-29-25(30)16-9-11-18(12-10-16)34(31,32)27-14-13-20-19-6-2-3-7-21(19)28-24(20)23-15-17-5-1-4-8-22(17)33-23/h1-12,15,27-28H,13-14,26H2,(H,29,30)
InChIKeyOMNXIFNMZCZTDR-UHFFFAOYSA-N
XLogP3.71
TPSA130.22 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 53.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl]-4-(hydrazinecarbonyl)benzenesulfonamide?
The IUPAC name of N-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl]-4-(hydrazinecarbonyl)benzenesulfonamide (CID 11532986) is N-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl]-4-(hydrazinecarbonyl)benzenesulfonamide.
What is the SMILES notation for N-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl]-4-(hydrazinecarbonyl)benzenesulfonamide?
The canonical SMILES for N-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl]-4-(hydrazinecarbonyl)benzenesulfonamide is NNC(=O)c1ccc(S(=O)(=O)NCCc2c(-c3cc4ccccc4o3)[nH]c3ccccc23)cc1.
What is the InChIKey of N-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl]-4-(hydrazinecarbonyl)benzenesulfonamide?
The InChIKey is OMNXIFNMZCZTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O4S/c26-29-25(30)16-9-11-18(12-10-16)34(31,32)27-14-13-20-19-6-2-3-7-21(19)28-24(20)23-15-17-5-1-4-8-22(17)33-23/h1-12,15,27-28H,13-14,26H2,(H,29,30).
What are the key properties of N-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl]-4-(hydrazinecarbonyl)benzenesulfonamide?
N-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl]-4-(hydrazinecarbonyl)benzenesulfonamide has a molecular weight of 474.54 g/mol, XLogP of 3.71, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl]-4-(hydrazinecarbonyl)benzenesulfonamide is sourced from PubChem (CID 11532986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).