N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]iminofuran-2-carboxamide

C21H15N3O5S — CID 5089354

IUPACN-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]iminofuran-2-carboxamide
SMILESO=C(/N=N/c1cc(NS(=O)(=O)c2ccccc2)c2ccccc2c1O)c1ccco1
InChIInChI=1S/C21H15N3O5S/c25-20-16-10-5-4-9-15(16)17(24-30(27,28)14-7-2-1-3-8-14)13-18(20)22-23-21(26)19-11-6-12-29-19/h1-13,24-25H/b23-22+
InChIKeyUWYAVTUPJQJPBF-GHVJWSGMSA-N
MW421.43 g/mol
LogP4.86
Rot. Bonds5

About N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]iminofuran-2-carboxamide

N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]iminofuran-2-carboxamide (PubChem CID 5089354) has the molecular formula C21H15N3O5S and a molecular weight of 421.43 g/mol. Its IUPAC name is N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]iminofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]iminofuran-2-carboxamide
PubChem CID5089354
Molecular FormulaC21H15N3O5S
Molecular Weight421.43 g/mol
Exact Mass421.07
IUPAC NameN-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]iminofuran-2-carboxamide
SMILESO=C(/N=N/c1cc(NS(=O)(=O)c2ccccc2)c2ccccc2c1O)c1ccco1
InChIInChI=1S/C21H15N3O5S/c25-20-16-10-5-4-9-15(16)17(24-30(27,28)14-7-2-1-3-8-14)13-18(20)22-23-21(26)19-11-6-12-29-19/h1-13,24-25H/b23-22+
InChIKeyUWYAVTUPJQJPBF-GHVJWSGMSA-N
XLogP4.86
TPSA121.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.43
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]iminofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]imino-3,5-dihydroxybenzamide
CID 135777327
N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]imino-3-chlorobenzamide
CID 5089017
N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]imino-2-methoxybenzamide
CID 5089172
N-[1-hydroxy-4-[(4-methoxyphenyl)sulfonylamino]naphthalen-2-yl]imino-4-methoxybenzamide
CID 3487122
N-[4-[(4-chlorophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]imino-2,4-dihydroxybenzamide
CID 3478501
N-[4-[(4-chlorophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]imino-2,4-dinitrobenzamide
CID 3473999
N-[4-[(4-bromophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]iminonaphthalene-2-carboxamide
CID 3498825
3-amino-N-[1-hydroxy-4-[(4-methylphenyl)sulfonylamino]naphthalen-2-yl]iminobenzamide
CID 3463382
N-[[4-(benzenesulfonamido)-1-hydroxy-5,8-dihydronaphthalen-2-yl]imino]-3-hydroxybenzamide
CID 135669369
N-[4-hydroxy-3-(4-hydroxy-3-methylphenyl)naphthalen-1-yl]benzenesulfonamide
CID 21205833
N-[5-(benzenesulfonamido)naphthalen-1-yl]benzenesulfonamide
CID 3389796
3-(benzenesulfonamido)-4-(furan-2-yl)benzoic acid
CID 167245137

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]iminofuran-2-carboxamide?
The IUPAC name of N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]iminofuran-2-carboxamide (CID 5089354) is N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]iminofuran-2-carboxamide.
What is the SMILES notation for N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]iminofuran-2-carboxamide?
The canonical SMILES for N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]iminofuran-2-carboxamide is O=C(/N=N/c1cc(NS(=O)(=O)c2ccccc2)c2ccccc2c1O)c1ccco1.
What is the InChIKey of N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]iminofuran-2-carboxamide?
The InChIKey is UWYAVTUPJQJPBF-GHVJWSGMSA-N. The full InChI is InChI=1S/C21H15N3O5S/c25-20-16-10-5-4-9-15(16)17(24-30(27,28)14-7-2-1-3-8-14)13-18(20)22-23-21(26)19-11-6-12-29-19/h1-13,24-25H/b23-22+.
What are the key properties of N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]iminofuran-2-carboxamide?
N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]iminofuran-2-carboxamide has a molecular weight of 421.43 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]iminofuran-2-carboxamide is sourced from PubChem (CID 5089354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).