2-[(4-nitrophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzamide

C16H12N4O5S2 — CID 17361114

IUPAC2-[(4-nitrophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H12N4O5S2/c21-15(18-16-17-9-10-26-16)13-3-1-2-4-14(13)19-27(24,25)12-7-5-11(6-8-12)20(22)23/h1-10,19H,(H,17,18,21)
InChIKeyXWLFJHPZTJVRJK-UHFFFAOYSA-N
MW404.43 g/mol
LogP3.10
Rot. Bonds6

About 2-[(4-nitrophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzamide

2-[(4-nitrophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 17361114) has the molecular formula C16H12N4O5S2 and a molecular weight of 404.43 g/mol. Its IUPAC name is 2-[(4-nitrophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-[(4-nitrophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzamide
PubChem CID17361114
Molecular FormulaC16H12N4O5S2
Molecular Weight404.43 g/mol
Exact Mass404.02
IUPAC Name2-[(4-nitrophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H12N4O5S2/c21-15(18-16-17-9-10-26-16)13-3-1-2-4-14(13)19-27(24,25)12-7-5-11(6-8-12)20(22)23/h1-10,19H,(H,17,18,21)
InChIKeyXWLFJHPZTJVRJK-UHFFFAOYSA-N
XLogP3.10
TPSA131.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 53.10
H-Bond Donors ≤ 52
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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Related Compounds

4-nitro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 2246052
4-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 59216632
2-[(4-fluorophenyl)sulfonylamino]-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 121040870
2-(propan-2-ylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 63107522
[2-(1,3-thiazol-2-ylcarbamoyl)phenyl] nitrate
CID 90933824
4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-nitrobenzoic acid
CID 139086395
4-methyl-3-nitro-N-[2-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 17361103
3,5-dinitro-N-(1,3-thiazol-2-yl)benzamide;hydrate
CID 139080774
3-(4-nitrophenyl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 1289699
N-[3-[(4-nitrophenyl)sulfonylamino]-2-pyridinyl]acetamide
CID 75524313
2-[(4-bromophenyl)sulfonylamino]-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 2336813
N-[(4-methylphenyl)methyl]-2-[(4-nitrophenyl)sulfonylamino]benzamide
CID 17319797

Frequently Asked Questions

What is the IUPAC name of 2-[(4-nitrophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-[(4-nitrophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzamide (CID 17361114) is 2-[(4-nitrophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-[(4-nitrophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-[(4-nitrophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzamide is O=C(Nc1nccs1)c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[(4-nitrophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is XWLFJHPZTJVRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O5S2/c21-15(18-16-17-9-10-26-16)13-3-1-2-4-14(13)19-27(24,25)12-7-5-11(6-8-12)20(22)23/h1-10,19H,(H,17,18,21).
What are the key properties of 2-[(4-nitrophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzamide?
2-[(4-nitrophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 404.43 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-nitrophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 17361114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).