N-[1-hydroxy-4-[(4-methoxyphenyl)sulfonylamino]naphthalen-2-yl]imino-4-methoxybenzamide

C25H21N3O6S — CID 3487122

IUPACN-[1-hydroxy-4-[(4-methoxyphenyl)sulfonylamino]naphthalen-2-yl]imino-4-methoxybenzamide
SMILESCOc1ccc(C(=O)/N=N/c2cc(NS(=O)(=O)c3ccc(OC)cc3)c3ccccc3c2O)cc1
InChIInChI=1S/C25H21N3O6S/c1-33-17-9-7-16(8-10-17)25(30)27-26-23-15-22(20-5-3-4-6-21(20)24(23)29)28-35(31,32)19-13-11-18(34-2)12-14-19/h3-15,28-29H,1-2H3/b27-26+
InChIKeyMSUDKFDNRPNBFS-CYYJNZCTSA-N
MW491.53 g/mol
LogP5.29
Rot. Bonds7

About N-[1-hydroxy-4-[(4-methoxyphenyl)sulfonylamino]naphthalen-2-yl]imino-4-methoxybenzamide

N-[1-hydroxy-4-[(4-methoxyphenyl)sulfonylamino]naphthalen-2-yl]imino-4-methoxybenzamide (PubChem CID 3487122) has the molecular formula C25H21N3O6S and a molecular weight of 491.53 g/mol. Its IUPAC name is N-[1-hydroxy-4-[(4-methoxyphenyl)sulfonylamino]naphthalen-2-yl]imino-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-hydroxy-4-[(4-methoxyphenyl)sulfonylamino]naphthalen-2-yl]imino-4-methoxybenzamide
PubChem CID3487122
Molecular FormulaC25H21N3O6S
Molecular Weight491.53 g/mol
Exact Mass491.12
IUPAC NameN-[1-hydroxy-4-[(4-methoxyphenyl)sulfonylamino]naphthalen-2-yl]imino-4-methoxybenzamide
SMILESCOc1ccc(C(=O)/N=N/c2cc(NS(=O)(=O)c3ccc(OC)cc3)c3ccccc3c2O)cc1
InChIInChI=1S/C25H21N3O6S/c1-33-17-9-7-16(8-10-17)25(30)27-26-23-15-22(20-5-3-4-6-21(20)24(23)29)28-35(31,32)19-13-11-18(34-2)12-14-19/h3-15,28-29H,1-2H3/b27-26+
InChIKeyMSUDKFDNRPNBFS-CYYJNZCTSA-N
XLogP5.29
TPSA126.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.53
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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'}

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Related Compounds

N-[4-[(4-bromophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]iminonaphthalene-2-carboxamide
CID 3498825
N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]imino-3,5-dihydroxybenzamide
CID 135777327
N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]imino-2-methoxybenzamide
CID 5089172
3-amino-N-[1-hydroxy-4-[(4-methylphenyl)sulfonylamino]naphthalen-2-yl]iminobenzamide
CID 3463382
N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]imino-3-chlorobenzamide
CID 5089017
N-(4-hydroxy-3-methylnaphthalen-1-yl)imino-4-methoxybenzamide
CID 585679
N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]iminofuran-2-carboxamide
CID 5089354
N-[4-[(4-chlorophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]imino-2,4-dihydroxybenzamide
CID 3478501
N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-4-methoxybenzenesulfonamide;methane
CID 159867718
N-[4-[(4-chlorophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]imino-2,4-dinitrobenzamide
CID 3473999
N-[4-hydroxy-3-(6-hydroxynaphthalen-1-yl)naphthalen-1-yl]-4-methoxybenzenesulfonamide
CID 90467177
4-hydroxy-N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]benzamide
CID 15294835

Frequently Asked Questions

What is the IUPAC name of N-[1-hydroxy-4-[(4-methoxyphenyl)sulfonylamino]naphthalen-2-yl]imino-4-methoxybenzamide?
The IUPAC name of N-[1-hydroxy-4-[(4-methoxyphenyl)sulfonylamino]naphthalen-2-yl]imino-4-methoxybenzamide (CID 3487122) is N-[1-hydroxy-4-[(4-methoxyphenyl)sulfonylamino]naphthalen-2-yl]imino-4-methoxybenzamide.
What is the SMILES notation for N-[1-hydroxy-4-[(4-methoxyphenyl)sulfonylamino]naphthalen-2-yl]imino-4-methoxybenzamide?
The canonical SMILES for N-[1-hydroxy-4-[(4-methoxyphenyl)sulfonylamino]naphthalen-2-yl]imino-4-methoxybenzamide is COc1ccc(C(=O)/N=N/c2cc(NS(=O)(=O)c3ccc(OC)cc3)c3ccccc3c2O)cc1.
What is the InChIKey of N-[1-hydroxy-4-[(4-methoxyphenyl)sulfonylamino]naphthalen-2-yl]imino-4-methoxybenzamide?
The InChIKey is MSUDKFDNRPNBFS-CYYJNZCTSA-N. The full InChI is InChI=1S/C25H21N3O6S/c1-33-17-9-7-16(8-10-17)25(30)27-26-23-15-22(20-5-3-4-6-21(20)24(23)29)28-35(31,32)19-13-11-18(34-2)12-14-19/h3-15,28-29H,1-2H3/b27-26+.
What are the key properties of N-[1-hydroxy-4-[(4-methoxyphenyl)sulfonylamino]naphthalen-2-yl]imino-4-methoxybenzamide?
N-[1-hydroxy-4-[(4-methoxyphenyl)sulfonylamino]naphthalen-2-yl]imino-4-methoxybenzamide has a molecular weight of 491.53 g/mol, XLogP of 5.29, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-hydroxy-4-[(4-methoxyphenyl)sulfonylamino]naphthalen-2-yl]imino-4-methoxybenzamide is sourced from PubChem (CID 3487122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).