2-iodo-5-nitro-N-(thiadiazol-5-yl)benzamide

C9H5IN4O3S — CID 114912062

IUPAC2-iodo-5-nitro-N-(thiadiazol-5-yl)benzamide
SMILESO=C(Nc1cnns1)c1cc([N+](=O)[O-])ccc1I
InChIInChI=1S/C9H5IN4O3S/c10-7-2-1-5(14(16)17)3-6(7)9(15)12-8-4-11-13-18-8/h1-4H,(H,12,15)
InChIKeyADAPSHXFZIKJKW-UHFFFAOYSA-N
MW376.14 g/mol
LogP2.30
Rot. Bonds3

About 2-iodo-5-nitro-N-(thiadiazol-5-yl)benzamide

2-iodo-5-nitro-N-(thiadiazol-5-yl)benzamide (PubChem CID 114912062) has the molecular formula C9H5IN4O3S and a molecular weight of 376.14 g/mol. Its IUPAC name is 2-iodo-5-nitro-N-(thiadiazol-5-yl)benzamide.

Molecular Properties

Compound Name2-iodo-5-nitro-N-(thiadiazol-5-yl)benzamide
PubChem CID114912062
Molecular FormulaC9H5IN4O3S
Molecular Weight376.14 g/mol
Exact Mass375.91
IUPAC Name2-iodo-5-nitro-N-(thiadiazol-5-yl)benzamide
SMILESO=C(Nc1cnns1)c1cc([N+](=O)[O-])ccc1I
InChIInChI=1S/C9H5IN4O3S/c10-7-2-1-5(14(16)17)3-6(7)9(15)12-8-4-11-13-18-8/h1-4H,(H,12,15)
InChIKeyADAPSHXFZIKJKW-UHFFFAOYSA-N
XLogP2.30
TPSA98.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.14
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', '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-iodo-N-(4-iodophenyl)-5-nitrobenzamide
CID 38888111
2-iodo-5-nitro-N-(3-nitrophenyl)benzamide
CID 38925983
N-(2-cyanophenyl)-2-iodo-5-nitrobenzamide
CID 43377432
2-iodo-N-(4-methyl-3-pyridinyl)-5-nitrobenzamide
CID 63327531
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-iodo-5-nitrobenzamide
CID 65486427
N-(3-acetamidophenyl)-2-iodo-5-nitrobenzamide
CID 38887087
N'-(2-iodo-5-nitrobenzoyl)pyridine-3-carbohydrazide
CID 15547621
2-iodo-5-nitrobenzoic acid
CID 3848745
2-iodo-5-nitro-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
CID 78874217
N-(2-chloropyrimidin-4-yl)-2-iodo-5-nitrobenzamide
CID 116794901
N-(5-fluoro-2-methylphenyl)-2-iodo-5-nitrobenzamide
CID 38898747
methyl 3-[(2-iodo-5-nitrobenzoyl)amino]-2-methylbenzoate
CID 78904302

Frequently Asked Questions

What is the IUPAC name of 2-iodo-5-nitro-N-(thiadiazol-5-yl)benzamide?
The IUPAC name of 2-iodo-5-nitro-N-(thiadiazol-5-yl)benzamide (CID 114912062) is 2-iodo-5-nitro-N-(thiadiazol-5-yl)benzamide.
What is the SMILES notation for 2-iodo-5-nitro-N-(thiadiazol-5-yl)benzamide?
The canonical SMILES for 2-iodo-5-nitro-N-(thiadiazol-5-yl)benzamide is O=C(Nc1cnns1)c1cc([N+](=O)[O-])ccc1I.
What is the InChIKey of 2-iodo-5-nitro-N-(thiadiazol-5-yl)benzamide?
The InChIKey is ADAPSHXFZIKJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5IN4O3S/c10-7-2-1-5(14(16)17)3-6(7)9(15)12-8-4-11-13-18-8/h1-4H,(H,12,15).
What are the key properties of 2-iodo-5-nitro-N-(thiadiazol-5-yl)benzamide?
2-iodo-5-nitro-N-(thiadiazol-5-yl)benzamide has a molecular weight of 376.14 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-nitro-N-(thiadiazol-5-yl)benzamide is sourced from PubChem (CID 114912062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).