N-[[4-[(4-chlorophenyl)sulfonylamino]-1-hydroxy-5,8-dihydronaphthalen-2-yl]imino]-2-hydroxy-2,2-diphenylacetamide

C30H24ClN3O5S — CID 135669390

IUPACN-[[4-[(4-chlorophenyl)sulfonylamino]-1-hydroxy-5,8-dihydronaphthalen-2-yl]imino]-2-hydroxy-2,2-diphenylacetamide
SMILESO=C(/N=N/c1cc(NS(=O)(=O)c2ccc(Cl)cc2)c2c(c1O)CC=CC2)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H24ClN3O5S/c31-22-15-17-23(18-16-22)40(38,39)34-26-19-27(28(35)25-14-8-7-13-24(25)26)32-33-29(36)30(37,20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-12,15-19,34-35,37H,13-14H2/b33-32+
InChIKeyMDQFQGVCEYJERQ-ULIFNZDWSA-N
MW574.06 g/mol
LogP6.05
Rot. Bonds7

About N-[[4-[(4-chlorophenyl)sulfonylamino]-1-hydroxy-5,8-dihydronaphthalen-2-yl]imino]-2-hydroxy-2,2-diphenylacetamide

N-[[4-[(4-chlorophenyl)sulfonylamino]-1-hydroxy-5,8-dihydronaphthalen-2-yl]imino]-2-hydroxy-2,2-diphenylacetamide (PubChem CID 135669390) has the molecular formula C30H24ClN3O5S and a molecular weight of 574.06 g/mol. Its IUPAC name is N-[[4-[(4-chlorophenyl)sulfonylamino]-1-hydroxy-5,8-dihydronaphthalen-2-yl]imino]-2-hydroxy-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[[4-[(4-chlorophenyl)sulfonylamino]-1-hydroxy-5,8-dihydronaphthalen-2-yl]imino]-2-hydroxy-2,2-diphenylacetamide
PubChem CID135669390
Molecular FormulaC30H24ClN3O5S
Molecular Weight574.06 g/mol
Exact Mass573.11
IUPAC NameN-[[4-[(4-chlorophenyl)sulfonylamino]-1-hydroxy-5,8-dihydronaphthalen-2-yl]imino]-2-hydroxy-2,2-diphenylacetamide
SMILESO=C(/N=N/c1cc(NS(=O)(=O)c2ccc(Cl)cc2)c2c(c1O)CC=CC2)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H24ClN3O5S/c31-22-15-17-23(18-16-22)40(38,39)34-26-19-27(28(35)25-14-8-7-13-24(25)26)32-33-29(36)30(37,20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-12,15-19,34-35,37H,13-14H2/b33-32+
InChIKeyMDQFQGVCEYJERQ-ULIFNZDWSA-N
XLogP6.05
TPSA128.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.06
LogP ≤ 56.05
H-Bond Donors ≤ 53
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(benzenesulfonamido)-1-hydroxy-5,8-dihydronaphthalen-2-yl]imino]-3-hydroxybenzamide
CID 135669369
3,5-dihydroxy-N-[[1-hydroxy-4-[(4-methylphenyl)sulfonylamino]-5,8-dihydronaphthalen-2-yl]imino]benzamide
CID 135669410
N-[[1-hydroxy-4-(methanesulfonamido)-5,8-dihydronaphthalen-2-yl]imino]benzamide
CID 135669412
N-[[1-hydroxy-4-[(4-methylphenyl)sulfonylamino]-5,8-dihydronaphthalen-2-yl]imino]-1,2-dihydropyridine-4-carboxamide
CID 135669407
N-[4-[(4-chlorophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]imino-2,4-dihydroxybenzamide
CID 3478501
N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]imino-3-chlorobenzamide
CID 5089017
N-[4-[(4-chlorophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]imino-2,4-dinitrobenzamide
CID 3473999
N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]imino-3,5-dihydroxybenzamide
CID 135777327
4-chloro-N-[2-[2-[(4-chlorophenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 3366097
N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]iminofuran-2-carboxamide
CID 5089354
3-(benzenesulfonamido)-4-[4-(4-chlorophenyl)piperazin-1-yl]benzoic acid
CID 46291835
4-chloro-N-(3-chloro-2-hydroxyphenyl)benzenesulfonamide
CID 78995718

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-chlorophenyl)sulfonylamino]-1-hydroxy-5,8-dihydronaphthalen-2-yl]imino]-2-hydroxy-2,2-diphenylacetamide?
The IUPAC name of N-[[4-[(4-chlorophenyl)sulfonylamino]-1-hydroxy-5,8-dihydronaphthalen-2-yl]imino]-2-hydroxy-2,2-diphenylacetamide (CID 135669390) is N-[[4-[(4-chlorophenyl)sulfonylamino]-1-hydroxy-5,8-dihydronaphthalen-2-yl]imino]-2-hydroxy-2,2-diphenylacetamide.
What is the SMILES notation for N-[[4-[(4-chlorophenyl)sulfonylamino]-1-hydroxy-5,8-dihydronaphthalen-2-yl]imino]-2-hydroxy-2,2-diphenylacetamide?
The canonical SMILES for N-[[4-[(4-chlorophenyl)sulfonylamino]-1-hydroxy-5,8-dihydronaphthalen-2-yl]imino]-2-hydroxy-2,2-diphenylacetamide is O=C(/N=N/c1cc(NS(=O)(=O)c2ccc(Cl)cc2)c2c(c1O)CC=CC2)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[[4-[(4-chlorophenyl)sulfonylamino]-1-hydroxy-5,8-dihydronaphthalen-2-yl]imino]-2-hydroxy-2,2-diphenylacetamide?
The InChIKey is MDQFQGVCEYJERQ-ULIFNZDWSA-N. The full InChI is InChI=1S/C30H24ClN3O5S/c31-22-15-17-23(18-16-22)40(38,39)34-26-19-27(28(35)25-14-8-7-13-24(25)26)32-33-29(36)30(37,20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-12,15-19,34-35,37H,13-14H2/b33-32+.
What are the key properties of N-[[4-[(4-chlorophenyl)sulfonylamino]-1-hydroxy-5,8-dihydronaphthalen-2-yl]imino]-2-hydroxy-2,2-diphenylacetamide?
N-[[4-[(4-chlorophenyl)sulfonylamino]-1-hydroxy-5,8-dihydronaphthalen-2-yl]imino]-2-hydroxy-2,2-diphenylacetamide has a molecular weight of 574.06 g/mol, XLogP of 6.05, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-chlorophenyl)sulfonylamino]-1-hydroxy-5,8-dihydronaphthalen-2-yl]imino]-2-hydroxy-2,2-diphenylacetamide is sourced from PubChem (CID 135669390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).