4-fluoro-2-methoxy-3-nitrobenzenesulfonyl chloride

C7H5ClFNO5S — CID 131271024

IUPAC4-fluoro-2-methoxy-3-nitrobenzenesulfonyl chloride
SMILESCOc1c(S(=O)(=O)Cl)ccc(F)c1[N+](=O)[O-]
InChIInChI=1S/C7H5ClFNO5S/c1-15-7-5(16(8,13)14)3-2-4(9)6(7)10(11)12/h2-3H,1H3
InChIKeyUZJYCPNBKFHDGN-UHFFFAOYSA-N
MW269.64 g/mol
LogP1.67
Rot. Bonds3

About 4-fluoro-2-methoxy-3-nitrobenzenesulfonyl chloride

4-fluoro-2-methoxy-3-nitrobenzenesulfonyl chloride (PubChem CID 131271024) has the molecular formula C7H5ClFNO5S and a molecular weight of 269.64 g/mol. Its IUPAC name is 4-fluoro-2-methoxy-3-nitrobenzenesulfonyl chloride.

Molecular Properties

Compound Name4-fluoro-2-methoxy-3-nitrobenzenesulfonyl chloride
PubChem CID131271024
Molecular FormulaC7H5ClFNO5S
Molecular Weight269.64 g/mol
Exact Mass268.96
IUPAC Name4-fluoro-2-methoxy-3-nitrobenzenesulfonyl chloride
SMILESCOc1c(S(=O)(=O)Cl)ccc(F)c1[N+](=O)[O-]
InChIInChI=1S/C7H5ClFNO5S/c1-15-7-5(16(8,13)14)3-2-4(9)6(7)10(11)12/h2-3H,1H3
InChIKeyUZJYCPNBKFHDGN-UHFFFAOYSA-N
XLogP1.67
TPSA86.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.64
LogP ≤ 51.67
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'}

Analyze 4-fluoro-2-methoxy-3-nitrobenzenesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dimethoxy-3-nitrobenzenesulfonyl chloride
CID 172968951
methyl 6-chlorosulfonyl-3-fluoro-2-nitrobenzoate
CID 172969892
2,4-difluoro-3-methoxybenzenesulfonyl chloride
CID 84703410
4-ethoxy-2-fluoro-3-nitrobenzenesulfonyl chloride
CID 172969626
3,6-difluoro-2-nitrobenzenesulfonyl chloride
CID 131500772
4-ethyl-3-nitro-2-(trifluoromethoxy)benzenesulfonyl chloride
CID 172969662
4-chloro-3-nitro-2-(trifluoromethoxy)benzenesulfonyl chloride
CID 172969613
2-fluoro-3-nitro-4-(trifluoromethoxy)benzenesulfonyl chloride
CID 172969157
2-fluoro-3,4-dimethoxybenzenesulfonyl chloride
CID 84708317
4,5-difluoro-2-methyl-3-nitrobenzenesulfonyl chloride
CID 131613440
2-(difluoromethoxy)-4-ethoxy-3-nitrobenzenesulfonyl chloride
CID 172968862
2-chloro-4-methyl-3-nitrobenzenesulfonyl chloride
CID 13307118

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methoxy-3-nitrobenzenesulfonyl chloride?
The IUPAC name of 4-fluoro-2-methoxy-3-nitrobenzenesulfonyl chloride (CID 131271024) is 4-fluoro-2-methoxy-3-nitrobenzenesulfonyl chloride.
What is the SMILES notation for 4-fluoro-2-methoxy-3-nitrobenzenesulfonyl chloride?
The canonical SMILES for 4-fluoro-2-methoxy-3-nitrobenzenesulfonyl chloride is COc1c(S(=O)(=O)Cl)ccc(F)c1[N+](=O)[O-].
What is the InChIKey of 4-fluoro-2-methoxy-3-nitrobenzenesulfonyl chloride?
The InChIKey is UZJYCPNBKFHDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClFNO5S/c1-15-7-5(16(8,13)14)3-2-4(9)6(7)10(11)12/h2-3H,1H3.
What are the key properties of 4-fluoro-2-methoxy-3-nitrobenzenesulfonyl chloride?
4-fluoro-2-methoxy-3-nitrobenzenesulfonyl chloride has a molecular weight of 269.64 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methoxy-3-nitrobenzenesulfonyl chloride is sourced from PubChem (CID 131271024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).