2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide

C20H15ClN4O5S — CID 6009778

IUPAC2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H15ClN4O5S/c21-15-7-11-17(12-8-15)31(29,30)24-19-4-2-1-3-18(19)20(26)23-22-13-14-5-9-16(10-6-14)25(27)28/h1-13,24H,(H,23,26)/b22-13-
InChIKeySQSSICXRYBFHDP-XKZIYDEJSA-N
MW458.88 g/mol
LogP3.81
Rot. Bonds7

About 2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide

2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide (PubChem CID 6009778) has the molecular formula C20H15ClN4O5S and a molecular weight of 458.88 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide
PubChem CID6009778
Molecular FormulaC20H15ClN4O5S
Molecular Weight458.88 g/mol
Exact Mass458.05
IUPAC Name2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H15ClN4O5S/c21-15-7-11-17(12-8-15)31(29,30)24-19-4-2-1-3-18(19)20(26)23-22-13-14-5-9-16(10-6-14)25(27)28/h1-13,24H,(H,23,26)/b22-13-
InChIKeySQSSICXRYBFHDP-XKZIYDEJSA-N
XLogP3.81
TPSA130.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.88
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 6154481
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(4-nitrophenyl)methylideneamino]oxamide
CID 4091193
2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
CID 6283942
2-[(4-chlorophenyl)sulfonylamino]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135683070
2-amino-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide
CID 5407743
1-(4-chlorophenyl)-3-[2-[(4-nitrophenyl)sulfonylamino]phenyl]urea
CID 171352632
2-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxy-4-nitrophenyl)benzamide
CID 18575745
[4-[(Z)-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] (E)-3-phenylprop-2-enoate
CID 6070732
2-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzamide
CID 1325152
N-(benzylideneamino)-4-[(4-chlorophenyl)sulfonylamino]benzamide
CID 4132126
1-[(E)-(4-chlorophenyl)methylideneamino]-3-(4-nitrophenyl)urea
CID 10543618
N-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 135562401

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide (CID 6009778) is 2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide is O=C(N/N=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide?
The InChIKey is SQSSICXRYBFHDP-XKZIYDEJSA-N. The full InChI is InChI=1S/C20H15ClN4O5S/c21-15-7-11-17(12-8-15)31(29,30)24-19-4-2-1-3-18(19)20(26)23-22-13-14-5-9-16(10-6-14)25(27)28/h1-13,24H,(H,23,26)/b22-13-.
What are the key properties of 2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide?
2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide has a molecular weight of 458.88 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide is sourced from PubChem (CID 6009778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).