N-[4-[(4-bromophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]iminonaphthalene-2-carboxamide

C27H18BrN3O4S — CID 3498825

IUPACN-[4-[(4-bromophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]iminonaphthalene-2-carboxamide
SMILESO=C(/N=N/c1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O)c1ccc2ccccc2c1
InChIInChI=1S/C27H18BrN3O4S/c28-20-11-13-21(14-12-20)36(34,35)31-24-16-25(26(32)23-8-4-3-7-22(23)24)29-30-27(33)19-10-9-17-5-1-2-6-18(17)15-19/h1-16,31-32H/b30-29+
InChIKeyXDQXKINBOIMJKB-QVIHXGFCSA-N
MW560.43 g/mol
LogP7.19
Rot. Bonds5

About N-[4-[(4-bromophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]iminonaphthalene-2-carboxamide

N-[4-[(4-bromophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]iminonaphthalene-2-carboxamide (PubChem CID 3498825) has the molecular formula C27H18BrN3O4S and a molecular weight of 560.43 g/mol. Its IUPAC name is N-[4-[(4-bromophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]iminonaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-bromophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]iminonaphthalene-2-carboxamide
PubChem CID3498825
Molecular FormulaC27H18BrN3O4S
Molecular Weight560.43 g/mol
Exact Mass559.02
IUPAC NameN-[4-[(4-bromophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]iminonaphthalene-2-carboxamide
SMILESO=C(/N=N/c1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O)c1ccc2ccccc2c1
InChIInChI=1S/C27H18BrN3O4S/c28-20-11-13-21(14-12-20)36(34,35)31-24-16-25(26(32)23-8-4-3-7-22(23)24)29-30-27(33)19-10-9-17-5-1-2-6-18(17)15-19/h1-16,31-32H/b30-29+
InChIKeyXDQXKINBOIMJKB-QVIHXGFCSA-N
XLogP7.19
TPSA108.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.43
LogP ≤ 57.19
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'}

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Related Compounds

N-[1-hydroxy-4-[(4-methoxyphenyl)sulfonylamino]naphthalen-2-yl]imino-4-methoxybenzamide
CID 3487122
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-(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-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]imino-2-methoxybenzamide
CID 5089172
N-[[4-(benzenesulfonamido)-1-hydroxy-5,8-dihydronaphthalen-2-yl]imino]-3-hydroxybenzamide
CID 135669369
N-[4-[(4-chlorophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]imino-2,4-dinitrobenzamide
CID 3473999
3-[4-[(4-bromophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]propanoic acid
CID 166635591
4-bromo-N-[4-[(4-bromophenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide
CID 5259114
2-[(4-bromophenyl)sulfonylamino]-N-naphthalen-2-ylbenzenecarboximidate
CID 2332015

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-bromophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]iminonaphthalene-2-carboxamide?
The IUPAC name of N-[4-[(4-bromophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]iminonaphthalene-2-carboxamide (CID 3498825) is N-[4-[(4-bromophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]iminonaphthalene-2-carboxamide.
What is the SMILES notation for N-[4-[(4-bromophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]iminonaphthalene-2-carboxamide?
The canonical SMILES for N-[4-[(4-bromophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]iminonaphthalene-2-carboxamide is O=C(/N=N/c1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O)c1ccc2ccccc2c1.
What is the InChIKey of N-[4-[(4-bromophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]iminonaphthalene-2-carboxamide?
The InChIKey is XDQXKINBOIMJKB-QVIHXGFCSA-N. The full InChI is InChI=1S/C27H18BrN3O4S/c28-20-11-13-21(14-12-20)36(34,35)31-24-16-25(26(32)23-8-4-3-7-22(23)24)29-30-27(33)19-10-9-17-5-1-2-6-18(17)15-19/h1-16,31-32H/b30-29+.
What are the key properties of N-[4-[(4-bromophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]iminonaphthalene-2-carboxamide?
N-[4-[(4-bromophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]iminonaphthalene-2-carboxamide has a molecular weight of 560.43 g/mol, XLogP of 7.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-bromophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]iminonaphthalene-2-carboxamide is sourced from PubChem (CID 3498825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).