2-[(4-bromophenyl)sulfonylamino]-N-naphthalen-2-ylbenzenecarboximidate

C23H16BrN2O3S- — CID 2332015

IUPAC2-[(4-bromophenyl)sulfonylamino]-N-naphthalen-2-ylbenzenecarboximidate
SMILESO=S(=O)(Nc1ccccc1/C([O-])=N/c1ccc2ccccc2c1)c1ccc(Br)cc1
InChIInChI=1S/C23H17BrN2O3S/c24-18-10-13-20(14-11-18)30(28,29)26-22-8-4-3-7-21(22)23(27)25-19-12-9-16-5-1-2-6-17(16)15-19/h1-15,26H,(H,25,27)/p-1
InChIKeyJOHKMXMAQVYSSP-UHFFFAOYSA-M
MW480.36 g/mol
LogP4.84
Rot. Bonds5

About 2-[(4-bromophenyl)sulfonylamino]-N-naphthalen-2-ylbenzenecarboximidate

2-[(4-bromophenyl)sulfonylamino]-N-naphthalen-2-ylbenzenecarboximidate (PubChem CID 2332015) has the molecular formula C23H16BrN2O3S- and a molecular weight of 480.36 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonylamino]-N-naphthalen-2-ylbenzenecarboximidate.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonylamino]-N-naphthalen-2-ylbenzenecarboximidate
PubChem CID2332015
Molecular FormulaC23H16BrN2O3S-
Molecular Weight480.36 g/mol
Exact Mass479.01
IUPAC Name2-[(4-bromophenyl)sulfonylamino]-N-naphthalen-2-ylbenzenecarboximidate
SMILESO=S(=O)(Nc1ccccc1/C([O-])=N/c1ccc2ccccc2c1)c1ccc(Br)cc1
InChIInChI=1S/C23H17BrN2O3S/c24-18-10-13-20(14-11-18)30(28,29)26-22-8-4-3-7-21(22)23(27)25-19-12-9-16-5-1-2-6-17(16)15-19/h1-15,26H,(H,25,27)/p-1
InChIKeyJOHKMXMAQVYSSP-UHFFFAOYSA-M
XLogP4.84
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.36
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[(4-bromophenyl)sulfonylamino]-N-phenylbenzamide
CID 2332035
3-[(4-bromophenyl)sulfonylamino]-2-hydroxybenzoic acid
CID 104833135
N-[4-(4-bromophenoxy)phenyl]naphthalene-2-sulfonamide
CID 1217806
2-[(4-bromophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide
CID 2333846
N-[2-[(4-bromophenyl)sulfonylamino]phenyl]acetamide
CID 113093694
N-[4-[(4-bromophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]iminonaphthalene-2-carboxamide
CID 3498825
N-[2-(pyrrolidine-1-carbonyl)phenyl]naphthalene-2-sulfonamide
CID 1095030
4-bromo-N-[4-[(4-bromophenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide
CID 5259114
N-(4-bromophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 2332106
2-[(6-methylnaphthalen-2-yl)sulfonylamino]benzoate
CID 7573844
N-[5-(naphthalen-2-ylsulfonylamino)naphthalen-1-yl]naphthalene-2-sulfonamide
CID 3407912
N-(1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)sulfonylamino]benzenecarboximidate
CID 2331914

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-naphthalen-2-ylbenzenecarboximidate?
The IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-naphthalen-2-ylbenzenecarboximidate (CID 2332015) is 2-[(4-bromophenyl)sulfonylamino]-N-naphthalen-2-ylbenzenecarboximidate.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonylamino]-N-naphthalen-2-ylbenzenecarboximidate?
The canonical SMILES for 2-[(4-bromophenyl)sulfonylamino]-N-naphthalen-2-ylbenzenecarboximidate is O=S(=O)(Nc1ccccc1/C([O-])=N/c1ccc2ccccc2c1)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonylamino]-N-naphthalen-2-ylbenzenecarboximidate?
The InChIKey is JOHKMXMAQVYSSP-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H17BrN2O3S/c24-18-10-13-20(14-11-18)30(28,29)26-22-8-4-3-7-21(22)23(27)25-19-12-9-16-5-1-2-6-17(16)15-19/h1-15,26H,(H,25,27)/p-1.
What are the key properties of 2-[(4-bromophenyl)sulfonylamino]-N-naphthalen-2-ylbenzenecarboximidate?
2-[(4-bromophenyl)sulfonylamino]-N-naphthalen-2-ylbenzenecarboximidate has a molecular weight of 480.36 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonylamino]-N-naphthalen-2-ylbenzenecarboximidate is sourced from PubChem (CID 2332015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).