2-nitro-5-(sulfinylamino)benzoyl chloride

C7H3ClN2O4S — CID 163824042

IUPAC2-nitro-5-(sulfinylamino)benzoyl chloride
SMILESO=S=Nc1ccc([N+](=O)[O-])c(C(=O)Cl)c1
InChIInChI=1S/C7H3ClN2O4S/c8-7(11)5-3-4(9-15-14)1-2-6(5)10(12)13/h1-3H
InChIKeyNXWKZOPBAMKCDX-UHFFFAOYSA-N
MW246.63 g/mol
LogP2.00
Rot. Bonds3

About 2-nitro-5-(sulfinylamino)benzoyl chloride

2-nitro-5-(sulfinylamino)benzoyl chloride (PubChem CID 163824042) has the molecular formula C7H3ClN2O4S and a molecular weight of 246.63 g/mol. Its IUPAC name is 2-nitro-5-(sulfinylamino)benzoyl chloride.

Molecular Properties

Compound Name2-nitro-5-(sulfinylamino)benzoyl chloride
PubChem CID163824042
Molecular FormulaC7H3ClN2O4S
Molecular Weight246.63 g/mol
Exact Mass245.95
IUPAC Name2-nitro-5-(sulfinylamino)benzoyl chloride
SMILESO=S=Nc1ccc([N+](=O)[O-])c(C(=O)Cl)c1
InChIInChI=1S/C7H3ClN2O4S/c8-7(11)5-3-4(9-15-14)1-2-6(5)10(12)13/h1-3H
InChIKeyNXWKZOPBAMKCDX-UHFFFAOYSA-N
XLogP2.00
TPSA89.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.63
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', '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

2,5-dinitrobenzoyl chloride
CID 13033217
2,6-dichloro-5-nitropyridine-3-carbonyl chloride
CID 54297365
5-(2-chloro-3,5,6-trifluoro-4-methylphenoxy)-2-nitrobenzoyl chloride
CID 88738654
2,3-dinitrobenzene-1,4-dicarbonyl chloride
CID 71323152
2-(difluoromethyl)-5-nitropyridine-4-carbonyl chloride
CID 118848721
6-nitro-1,3-benzodioxole-5-carbonyl chloride
CID 15563894
4-nitro-5,6,7,8-tetrahydronaphthalene-1-carbonyl chloride
CID 22452665
4-bromo-5-fluoro-2-nitrobenzoyl chloride
CID 124925511
5-chloro-2-fluoro-3-nitrobenzoyl chloride
CID 165349862
5-chloro-2-methyl-4-nitrobenzoyl chloride
CID 130894984
2,5-dimethyl-3-nitrobenzoyl chloride
CID 96829774
CID 175469139
CID 175469139

Frequently Asked Questions

What is the IUPAC name of 2-nitro-5-(sulfinylamino)benzoyl chloride?
The IUPAC name of 2-nitro-5-(sulfinylamino)benzoyl chloride (CID 163824042) is 2-nitro-5-(sulfinylamino)benzoyl chloride.
What is the SMILES notation for 2-nitro-5-(sulfinylamino)benzoyl chloride?
The canonical SMILES for 2-nitro-5-(sulfinylamino)benzoyl chloride is O=S=Nc1ccc([N+](=O)[O-])c(C(=O)Cl)c1.
What is the InChIKey of 2-nitro-5-(sulfinylamino)benzoyl chloride?
The InChIKey is NXWKZOPBAMKCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClN2O4S/c8-7(11)5-3-4(9-15-14)1-2-6(5)10(12)13/h1-3H.
What are the key properties of 2-nitro-5-(sulfinylamino)benzoyl chloride?
2-nitro-5-(sulfinylamino)benzoyl chloride has a molecular weight of 246.63 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-5-(sulfinylamino)benzoyl chloride is sourced from PubChem (CID 163824042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).