N-[[1-hydroxy-4-(methanesulfonamido)-5,8-dihydronaphthalen-2-yl]imino]benzamide

C18H17N3O4S — CID 135669412

IUPACN-[[1-hydroxy-4-(methanesulfonamido)-5,8-dihydronaphthalen-2-yl]imino]benzamide
SMILESCS(=O)(=O)Nc1cc(/N=N/C(=O)c2ccccc2)c(O)c2c1CC=CC2
InChIInChI=1S/C18H17N3O4S/c1-26(24,25)21-15-11-16(17(22)14-10-6-5-9-13(14)15)19-20-18(23)12-7-3-2-4-8-12/h2-8,11,21-22H,9-10H2,1H3/b20-19+
InChIKeyHYCFCKLXXVRTAJ-FMQUCBEESA-N
MW371.42 g/mol
LogP3.34
Rot. Bonds4

About N-[[1-hydroxy-4-(methanesulfonamido)-5,8-dihydronaphthalen-2-yl]imino]benzamide

N-[[1-hydroxy-4-(methanesulfonamido)-5,8-dihydronaphthalen-2-yl]imino]benzamide (PubChem CID 135669412) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is N-[[1-hydroxy-4-(methanesulfonamido)-5,8-dihydronaphthalen-2-yl]imino]benzamide.

Molecular Properties

Compound NameN-[[1-hydroxy-4-(methanesulfonamido)-5,8-dihydronaphthalen-2-yl]imino]benzamide
PubChem CID135669412
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC NameN-[[1-hydroxy-4-(methanesulfonamido)-5,8-dihydronaphthalen-2-yl]imino]benzamide
SMILESCS(=O)(=O)Nc1cc(/N=N/C(=O)c2ccccc2)c(O)c2c1CC=CC2
InChIInChI=1S/C18H17N3O4S/c1-26(24,25)21-15-11-16(17(22)14-10-6-5-9-13(14)15)19-20-18(23)12-7-3-2-4-8-12/h2-8,11,21-22H,9-10H2,1H3/b20-19+
InChIKeyHYCFCKLXXVRTAJ-FMQUCBEESA-N
XLogP3.34
TPSA108.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[[1-hydroxy-4-(methanesulfonamido)-5,8-dihydronaphthalen-2-yl]imino]benzamide 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-hydroxy-5,8-dihydronaphthalen-2-yl]imino]-3-hydroxybenzamide
CID 135669369
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
3-amino-N-[1-hydroxy-4-[(4-methylphenyl)sulfonylamino]naphthalen-2-yl]iminobenzamide
CID 3463382
N-[4-[(4-bromophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]iminonaphthalene-2-carboxamide
CID 3498825
N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]imino-2-methoxybenzamide
CID 5089172
2-[2-(methanesulfonamido)phenyl]benzoate
CID 171730361
N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]iminofuran-2-carboxamide
CID 5089354
N-(2,4-dihydroxy-3-methylnaphthalen-1-yl)iminobenzamide
CID 570072
2-[(3,4-dicyanophenyl)diazenyl]-5-(methanesulfonamido)naphthalene-1-carboxylic acid
CID 88608280
4-(methanesulfonamido)-3-phenylmethoxybenzoic acid
CID 166479657
N-(iodo-methyl-oxo-λ6-sulfanylidene)benzamide
CID 167050073

Frequently Asked Questions

What is the IUPAC name of N-[[1-hydroxy-4-(methanesulfonamido)-5,8-dihydronaphthalen-2-yl]imino]benzamide?
The IUPAC name of N-[[1-hydroxy-4-(methanesulfonamido)-5,8-dihydronaphthalen-2-yl]imino]benzamide (CID 135669412) is N-[[1-hydroxy-4-(methanesulfonamido)-5,8-dihydronaphthalen-2-yl]imino]benzamide.
What is the SMILES notation for N-[[1-hydroxy-4-(methanesulfonamido)-5,8-dihydronaphthalen-2-yl]imino]benzamide?
The canonical SMILES for N-[[1-hydroxy-4-(methanesulfonamido)-5,8-dihydronaphthalen-2-yl]imino]benzamide is CS(=O)(=O)Nc1cc(/N=N/C(=O)c2ccccc2)c(O)c2c1CC=CC2.
What is the InChIKey of N-[[1-hydroxy-4-(methanesulfonamido)-5,8-dihydronaphthalen-2-yl]imino]benzamide?
The InChIKey is HYCFCKLXXVRTAJ-FMQUCBEESA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-26(24,25)21-15-11-16(17(22)14-10-6-5-9-13(14)15)19-20-18(23)12-7-3-2-4-8-12/h2-8,11,21-22H,9-10H2,1H3/b20-19+.
What are the key properties of N-[[1-hydroxy-4-(methanesulfonamido)-5,8-dihydronaphthalen-2-yl]imino]benzamide?
N-[[1-hydroxy-4-(methanesulfonamido)-5,8-dihydronaphthalen-2-yl]imino]benzamide has a molecular weight of 371.42 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-hydroxy-4-(methanesulfonamido)-5,8-dihydronaphthalen-2-yl]imino]benzamide is sourced from PubChem (CID 135669412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).