4-nitro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide

C16H12N4O5S2 — CID 2246052

IUPAC4-nitro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H12N4O5S2/c21-15(11-1-5-13(6-2-11)20(22)23)18-12-3-7-14(8-4-12)27(24,25)19-16-17-9-10-26-16/h1-10H,(H,17,19)(H,18,21)
InChIKeyGUTKGMSGEGCJLQ-UHFFFAOYSA-N
MW404.43 g/mol
LogP3.10
Rot. Bonds6

About 4-nitro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide

4-nitro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide (PubChem CID 2246052) has the molecular formula C16H12N4O5S2 and a molecular weight of 404.43 g/mol. Its IUPAC name is 4-nitro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-nitro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
PubChem CID2246052
Molecular FormulaC16H12N4O5S2
Molecular Weight404.43 g/mol
Exact Mass404.02
IUPAC Name4-nitro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H12N4O5S2/c21-15(11-1-5-13(6-2-11)20(22)23)18-12-3-7-14(8-4-12)27(24,25)19-16-17-9-10-26-16/h1-10H,(H,17,19)(H,18,21)
InChIKeyGUTKGMSGEGCJLQ-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-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 59216632
4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-nitrobenzoic acid
CID 139086395
2-(4-nitrophenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 4951265
N-[4-(benzenesulfonamido)phenyl]-4-nitrobenzamide
CID 4230434
4-chloro-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzamide
CID 25041464
4-(3-methylbutoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 4948208
3-(4-nitropyrazol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 19555438
2-[(4-nitrophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361114
N-(5,6-dimethyl-3-pyridinyl)-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87488160
3-chloro-4-(methanesulfonamido)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 30391286
1-ethyl-4-nitro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-5-carboxamide
CID 19476326
5-oxo-1-propan-2-yl-N-[4-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]phenyl]pyrrolidine-3-carboxamide
CID 17119868

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
The IUPAC name of 4-nitro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide (CID 2246052) is 4-nitro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 4-nitro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 4-nitro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-nitro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
The InChIKey is GUTKGMSGEGCJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O5S2/c21-15(11-1-5-13(6-2-11)20(22)23)18-12-3-7-14(8-4-12)27(24,25)19-16-17-9-10-26-16/h1-10H,(H,17,19)(H,18,21).
What are the key properties of 4-nitro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
4-nitro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]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 4-nitro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 2246052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).