2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(3-sulfamoylphenyl)benzamide

C19H15ClN4O7S2 — CID 3280970

IUPAC2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(3-sulfamoylphenyl)benzamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C19H15ClN4O7S2/c20-16-9-8-14(11-18(16)24(26)27)33(30,31)23-17-7-2-1-6-15(17)19(25)22-12-4-3-5-13(10-12)32(21,28)29/h1-11,23H,(H,22,25)(H2,21,28,29)
InChIKeyYCMZDSUIIHFDEF-UHFFFAOYSA-N
MW510.94 g/mol
LogP2.95
Rot. Bonds7

About 2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(3-sulfamoylphenyl)benzamide

2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(3-sulfamoylphenyl)benzamide (PubChem CID 3280970) has the molecular formula C19H15ClN4O7S2 and a molecular weight of 510.94 g/mol. Its IUPAC name is 2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(3-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(3-sulfamoylphenyl)benzamide
PubChem CID3280970
Molecular FormulaC19H15ClN4O7S2
Molecular Weight510.94 g/mol
Exact Mass510.01
IUPAC Name2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(3-sulfamoylphenyl)benzamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C19H15ClN4O7S2/c20-16-9-8-14(11-18(16)24(26)27)33(30,31)23-17-7-2-1-6-15(17)19(25)22-12-4-3-5-13(10-12)32(21,28)29/h1-11,23H,(H,22,25)(H2,21,28,29)
InChIKeyYCMZDSUIIHFDEF-UHFFFAOYSA-N
XLogP2.95
TPSA178.57 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.94
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(3-sulfamoylphenyl)benzamide?
The IUPAC name of 2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(3-sulfamoylphenyl)benzamide (CID 3280970) is 2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(3-sulfamoylphenyl)benzamide.
What is the SMILES notation for 2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(3-sulfamoylphenyl)benzamide?
The canonical SMILES for 2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(3-sulfamoylphenyl)benzamide is NS(=O)(=O)c1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1.
What is the InChIKey of 2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(3-sulfamoylphenyl)benzamide?
The InChIKey is YCMZDSUIIHFDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O7S2/c20-16-9-8-14(11-18(16)24(26)27)33(30,31)23-17-7-2-1-6-15(17)19(25)22-12-4-3-5-13(10-12)32(21,28)29/h1-11,23H,(H,22,25)(H2,21,28,29).
What are the key properties of 2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(3-sulfamoylphenyl)benzamide?
2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(3-sulfamoylphenyl)benzamide has a molecular weight of 510.94 g/mol, XLogP of 2.95, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(3-sulfamoylphenyl)benzamide is sourced from PubChem (CID 3280970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).