2-iodo-5-methoxy-3-nitrobenzenesulfonyl chloride

C7H5ClINO5S — CID 172969205

IUPAC2-iodo-5-methoxy-3-nitrobenzenesulfonyl chloride
SMILESCOc1cc([N+](=O)[O-])c(I)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C7H5ClINO5S/c1-15-4-2-5(10(11)12)7(9)6(3-4)16(8,13)14/h2-3H,1H3
InChIKeyFPTYUBLPOUVHKV-UHFFFAOYSA-N
MW377.54 g/mol
LogP2.14
Rot. Bonds3

About 2-iodo-5-methoxy-3-nitrobenzenesulfonyl chloride

2-iodo-5-methoxy-3-nitrobenzenesulfonyl chloride (PubChem CID 172969205) has the molecular formula C7H5ClINO5S and a molecular weight of 377.54 g/mol. Its IUPAC name is 2-iodo-5-methoxy-3-nitrobenzenesulfonyl chloride.

Molecular Properties

Compound Name2-iodo-5-methoxy-3-nitrobenzenesulfonyl chloride
PubChem CID172969205
Molecular FormulaC7H5ClINO5S
Molecular Weight377.54 g/mol
Exact Mass376.86
IUPAC Name2-iodo-5-methoxy-3-nitrobenzenesulfonyl chloride
SMILESCOc1cc([N+](=O)[O-])c(I)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C7H5ClINO5S/c1-15-4-2-5(10(11)12)7(9)6(3-4)16(8,13)14/h2-3H,1H3
InChIKeyFPTYUBLPOUVHKV-UHFFFAOYSA-N
XLogP2.14
TPSA86.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.54
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

5-ethoxy-2-iodo-3-nitrobenzenesulfonyl chloride
CID 172969768
2-methyl-3-nitro-5-(trifluoromethoxy)benzenesulfonyl chloride
CID 172969230
1-iodo-5-methoxy-2-methyl-3-nitrobenzene
CID 130090732
3-iodo-4-methoxy-5-nitrobenzenesulfonyl chloride
CID 172969413
4-iodo-2-methyl-5-nitrobenzenesulfonyl chloride
CID 172969697
2-bromo-4-methoxy-5-nitrobenzenesulfonyl chloride
CID 171005589
4-ethoxy-2-nitrobenzenesulfonyl chloride
CID 12514471
sodium 4-methoxy-2-nitrobenzenesulfonate
CID 112704965
4-cyano-2-methoxy-5-nitrobenzenesulfonyl chloride
CID 131393794
6-methoxy-5-nitro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134677984
2-fluoro-1,5-dimethoxy-3-nitrobenzene
CID 15324514
2-iodo-4-methoxy-6-nitrobenzamide
CID 171012295

Frequently Asked Questions

What is the IUPAC name of 2-iodo-5-methoxy-3-nitrobenzenesulfonyl chloride?
The IUPAC name of 2-iodo-5-methoxy-3-nitrobenzenesulfonyl chloride (CID 172969205) is 2-iodo-5-methoxy-3-nitrobenzenesulfonyl chloride.
What is the SMILES notation for 2-iodo-5-methoxy-3-nitrobenzenesulfonyl chloride?
The canonical SMILES for 2-iodo-5-methoxy-3-nitrobenzenesulfonyl chloride is COc1cc([N+](=O)[O-])c(I)c(S(=O)(=O)Cl)c1.
What is the InChIKey of 2-iodo-5-methoxy-3-nitrobenzenesulfonyl chloride?
The InChIKey is FPTYUBLPOUVHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClINO5S/c1-15-4-2-5(10(11)12)7(9)6(3-4)16(8,13)14/h2-3H,1H3.
What are the key properties of 2-iodo-5-methoxy-3-nitrobenzenesulfonyl chloride?
2-iodo-5-methoxy-3-nitrobenzenesulfonyl chloride has a molecular weight of 377.54 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-methoxy-3-nitrobenzenesulfonyl chloride is sourced from PubChem (CID 172969205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).