2-ethyl-4-iodo-3-nitrobenzenesulfonyl chloride

C8H7ClINO4S — CID 172969134

IUPAC2-ethyl-4-iodo-3-nitrobenzenesulfonyl chloride
SMILESCCc1c(S(=O)(=O)Cl)ccc(I)c1[N+](=O)[O-]
InChIInChI=1S/C8H7ClINO4S/c1-2-5-7(16(9,14)15)4-3-6(10)8(5)11(12)13/h3-4H,2H2,1H3
InChIKeyLPMVZJMAJGVPRC-UHFFFAOYSA-N
MW375.57 g/mol
LogP2.69
Rot. Bonds3

About 2-ethyl-4-iodo-3-nitrobenzenesulfonyl chloride

2-ethyl-4-iodo-3-nitrobenzenesulfonyl chloride (PubChem CID 172969134) has the molecular formula C8H7ClINO4S and a molecular weight of 375.57 g/mol. Its IUPAC name is 2-ethyl-4-iodo-3-nitrobenzenesulfonyl chloride.

Molecular Properties

Compound Name2-ethyl-4-iodo-3-nitrobenzenesulfonyl chloride
PubChem CID172969134
Molecular FormulaC8H7ClINO4S
Molecular Weight375.57 g/mol
Exact Mass374.88
IUPAC Name2-ethyl-4-iodo-3-nitrobenzenesulfonyl chloride
SMILESCCc1c(S(=O)(=O)Cl)ccc(I)c1[N+](=O)[O-]
InChIInChI=1S/C8H7ClINO4S/c1-2-5-7(16(9,14)15)4-3-6(10)8(5)11(12)13/h3-4H,2H2,1H3
InChIKeyLPMVZJMAJGVPRC-UHFFFAOYSA-N
XLogP2.69
TPSA77.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.57
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-ethyl-3-nitro-4-(trifluoromethoxy)benzenesulfonyl chloride
CID 172969124
2-(difluoromethyl)-4-iodo-3-nitrobenzenesulfonyl chloride
CID 172968913
2-ethyl-4-nitrobenzenesulfonyl chloride
CID 87194881
4-cyano-2-ethyl-3-iodobenzenesulfonyl chloride
CID 131601699
2-(difluoromethyl)-4-ethyl-3-nitrobenzenesulfonyl chloride
CID 172968907
4-ethyl-3-iodo-5-nitrobenzenesulfonyl chloride
CID 172969659
3-bromo-2-nitrobenzenesulfonyl chloride
CID 99771083
4-ethyl-3-nitro-2-(trifluoromethoxy)benzenesulfonyl chloride
CID 172969662
2-chloro-4-methyl-3-nitrobenzenesulfonyl chloride
CID 13307118
4-ethoxy-2-fluoro-3-nitrobenzenesulfonyl chloride
CID 172969626
2,4-dimethoxy-3-nitrobenzenesulfonyl chloride
CID 172968951
4-fluoro-2-methoxy-3-nitrobenzenesulfonyl chloride
CID 131271024

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-iodo-3-nitrobenzenesulfonyl chloride?
The IUPAC name of 2-ethyl-4-iodo-3-nitrobenzenesulfonyl chloride (CID 172969134) is 2-ethyl-4-iodo-3-nitrobenzenesulfonyl chloride.
What is the SMILES notation for 2-ethyl-4-iodo-3-nitrobenzenesulfonyl chloride?
The canonical SMILES for 2-ethyl-4-iodo-3-nitrobenzenesulfonyl chloride is CCc1c(S(=O)(=O)Cl)ccc(I)c1[N+](=O)[O-].
What is the InChIKey of 2-ethyl-4-iodo-3-nitrobenzenesulfonyl chloride?
The InChIKey is LPMVZJMAJGVPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClINO4S/c1-2-5-7(16(9,14)15)4-3-6(10)8(5)11(12)13/h3-4H,2H2,1H3.
What are the key properties of 2-ethyl-4-iodo-3-nitrobenzenesulfonyl chloride?
2-ethyl-4-iodo-3-nitrobenzenesulfonyl chloride has a molecular weight of 375.57 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-iodo-3-nitrobenzenesulfonyl chloride is sourced from PubChem (CID 172969134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).