2-[(Z)-3-chloro-2-methylprop-2-enoxy]-5-nitrobenzenesulfonyl chloride

C10H9Cl2NO5S — CID 106437227

IUPAC2-[(Z)-3-chloro-2-methylprop-2-enoxy]-5-nitrobenzenesulfonyl chloride
SMILESC/C(=C/Cl)COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Cl
InChIInChI=1S/C10H9Cl2NO5S/c1-7(5-11)6-18-9-3-2-8(13(14)15)4-10(9)19(12,16)17/h2-5H,6H2,1H3/b7-5-
InChIKeyOUXMGWXIDFIFRU-ALCCZGGFSA-N
MW326.16 g/mol
LogP3.04
Rot. Bonds5

About 2-[(Z)-3-chloro-2-methylprop-2-enoxy]-5-nitrobenzenesulfonyl chloride

2-[(Z)-3-chloro-2-methylprop-2-enoxy]-5-nitrobenzenesulfonyl chloride (PubChem CID 106437227) has the molecular formula C10H9Cl2NO5S and a molecular weight of 326.16 g/mol. Its IUPAC name is 2-[(Z)-3-chloro-2-methylprop-2-enoxy]-5-nitrobenzenesulfonyl chloride.

Molecular Properties

Compound Name2-[(Z)-3-chloro-2-methylprop-2-enoxy]-5-nitrobenzenesulfonyl chloride
PubChem CID106437227
Molecular FormulaC10H9Cl2NO5S
Molecular Weight326.16 g/mol
Exact Mass324.96
IUPAC Name2-[(Z)-3-chloro-2-methylprop-2-enoxy]-5-nitrobenzenesulfonyl chloride
SMILESC/C(=C/Cl)COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Cl
InChIInChI=1S/C10H9Cl2NO5S/c1-7(5-11)6-18-9-3-2-8(13(14)15)4-10(9)19(12,16)17/h2-5H,6H2,1H3/b7-5-
InChIKeyOUXMGWXIDFIFRU-ALCCZGGFSA-N
XLogP3.04
TPSA86.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.16
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

N-[[2-[(Z)-3-chloro-2-methylprop-2-enoxy]-5-nitrophenyl]methyl]-2-methylpropan-2-amine
CID 106436954
2-[4-(methylamino)-4-oxobutoxy]-5-nitrobenzenesulfonyl chloride
CID 82912140
2-(4-methylpentoxy)-5-nitrobenzenesulfonyl chloride
CID 83156711
2-(3-chloro-2-methylprop-2-enoxy)-3-methyl-5-nitrobenzenesulfonamide
CID 106439097
2-methyl-5-nitrobenzenesulfonyl chloride
CID 8457
N-(cyanomethyl)-2-(4-nitro-2-sulfamoylphenoxy)acetamide
CID 82913043
1-[3-[(E)-3-chloro-2-methylprop-2-enoxy]-4-nitrophenyl]-N-methylmethanamine
CID 114188720
2-ethyl-4-nitrobenzenesulfonyl chloride
CID 87194881
4-(2-methoxy-5-nitrophenoxy)-3-methylbut-2-enoic acid
CID 77005459
2-ethoxy-5-[(4-nitrobenzoyl)amino]benzenesulfonyl chloride
CID 2758762
2-[2-[2-[2-(2-chlorosulfonyl-5-nitrophenoxy)ethoxy]ethoxy]ethoxy]-4-nitrobenzenesulfonyl chloride
CID 14341571
N-cyclopropyl-2-(4-nitro-2-sulfamoylphenoxy)acetamide
CID 82913033

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-3-chloro-2-methylprop-2-enoxy]-5-nitrobenzenesulfonyl chloride?
The IUPAC name of 2-[(Z)-3-chloro-2-methylprop-2-enoxy]-5-nitrobenzenesulfonyl chloride (CID 106437227) is 2-[(Z)-3-chloro-2-methylprop-2-enoxy]-5-nitrobenzenesulfonyl chloride.
What is the SMILES notation for 2-[(Z)-3-chloro-2-methylprop-2-enoxy]-5-nitrobenzenesulfonyl chloride?
The canonical SMILES for 2-[(Z)-3-chloro-2-methylprop-2-enoxy]-5-nitrobenzenesulfonyl chloride is C/C(=C/Cl)COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Cl.
What is the InChIKey of 2-[(Z)-3-chloro-2-methylprop-2-enoxy]-5-nitrobenzenesulfonyl chloride?
The InChIKey is OUXMGWXIDFIFRU-ALCCZGGFSA-N. The full InChI is InChI=1S/C10H9Cl2NO5S/c1-7(5-11)6-18-9-3-2-8(13(14)15)4-10(9)19(12,16)17/h2-5H,6H2,1H3/b7-5-.
What are the key properties of 2-[(Z)-3-chloro-2-methylprop-2-enoxy]-5-nitrobenzenesulfonyl chloride?
2-[(Z)-3-chloro-2-methylprop-2-enoxy]-5-nitrobenzenesulfonyl chloride has a molecular weight of 326.16 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-3-chloro-2-methylprop-2-enoxy]-5-nitrobenzenesulfonyl chloride is sourced from PubChem (CID 106437227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).