2-chloro-5-nitro-N-(thiadiazol-5-yl)benzenesulfonamide

C8H5ClN4O4S2 — CID 114912145

IUPAC2-chloro-5-nitro-N-(thiadiazol-5-yl)benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cnns2)c1
InChIInChI=1S/C8H5ClN4O4S2/c9-6-2-1-5(13(14)15)3-7(6)19(16,17)11-8-4-10-12-18-8/h1-4,11H
InChIKeyILUCOSVOJVZBLR-UHFFFAOYSA-N
MW320.74 g/mol
LogP1.90
Rot. Bonds4

About 2-chloro-5-nitro-N-(thiadiazol-5-yl)benzenesulfonamide

2-chloro-5-nitro-N-(thiadiazol-5-yl)benzenesulfonamide (PubChem CID 114912145) has the molecular formula C8H5ClN4O4S2 and a molecular weight of 320.74 g/mol. Its IUPAC name is 2-chloro-5-nitro-N-(thiadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-nitro-N-(thiadiazol-5-yl)benzenesulfonamide
PubChem CID114912145
Molecular FormulaC8H5ClN4O4S2
Molecular Weight320.74 g/mol
Exact Mass319.94
IUPAC Name2-chloro-5-nitro-N-(thiadiazol-5-yl)benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cnns2)c1
InChIInChI=1S/C8H5ClN4O4S2/c9-6-2-1-5(13(14)15)3-7(6)19(16,17)11-8-4-10-12-18-8/h1-4,11H
InChIKeyILUCOSVOJVZBLR-UHFFFAOYSA-N
XLogP1.90
TPSA115.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.74
LogP ≤ 51.90
H-Bond Donors ≤ 51
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

2-hydrazinyl-5-nitro-N-(thiadiazol-5-yl)benzenesulfonamide
CID 114912879
2-chloro-5-nitro-N-(4-nitrophenyl)benzenesulfonamide
CID 7559501
N-(5-bromo-2-pyridinyl)-2-chloro-5-nitrobenzenesulfonamide
CID 43389509
2-chloro-N-(4-methylphenyl)-5-nitrobenzenesulfonamide
CID 2844050
2-chloro-N-(4-cyano-1H-pyrazol-5-yl)-5-nitrobenzenesulfonamide
CID 79497162
5-amino-2-chloro-4-methyl-N-(thiadiazol-5-yl)benzenesulfonamide
CID 114911701
2-chloro-N-(2-chloro-3-pyridinyl)-5-nitrobenzenesulfonamide
CID 60639935
2-chloro-N-(6-fluoro-2-pyridinyl)-5-nitrobenzenesulfonamide
CID 104821583
2-amino-4-chloro-N-(thiadiazol-5-yl)benzenesulfonamide
CID 114911673
2-chloro-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 2871205
2-chloro-5-nitro-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide
CID 4129284
2-chloro-N-(1-methylcyclopropyl)-5-nitrobenzenesulfonamide
CID 113485393

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-nitro-N-(thiadiazol-5-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-nitro-N-(thiadiazol-5-yl)benzenesulfonamide (CID 114912145) is 2-chloro-5-nitro-N-(thiadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-nitro-N-(thiadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-nitro-N-(thiadiazol-5-yl)benzenesulfonamide is O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cnns2)c1.
What is the InChIKey of 2-chloro-5-nitro-N-(thiadiazol-5-yl)benzenesulfonamide?
The InChIKey is ILUCOSVOJVZBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN4O4S2/c9-6-2-1-5(13(14)15)3-7(6)19(16,17)11-8-4-10-12-18-8/h1-4,11H.
What are the key properties of 2-chloro-5-nitro-N-(thiadiazol-5-yl)benzenesulfonamide?
2-chloro-5-nitro-N-(thiadiazol-5-yl)benzenesulfonamide has a molecular weight of 320.74 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-nitro-N-(thiadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 114912145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).