3-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]benzenesulfonyl chloride

C9H8ClFN4O3S — CID 107041913

IUPAC3-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]benzenesulfonyl chloride
SMILESCn1nnc(COc2ccc(S(=O)(=O)Cl)cc2F)n1
InChIInChI=1S/C9H8ClFN4O3S/c1-15-13-9(12-14-15)5-18-8-3-2-6(4-7(8)11)19(10,16)17/h2-4H,5H2,1H3
InChIKeyHVAVKIGHOZERLP-UHFFFAOYSA-N
MW306.71 g/mol
LogP0.86
Rot. Bonds4

About 3-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]benzenesulfonyl chloride

3-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]benzenesulfonyl chloride (PubChem CID 107041913) has the molecular formula C9H8ClFN4O3S and a molecular weight of 306.71 g/mol. Its IUPAC name is 3-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name3-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]benzenesulfonyl chloride
PubChem CID107041913
Molecular FormulaC9H8ClFN4O3S
Molecular Weight306.71 g/mol
Exact Mass306.00
IUPAC Name3-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]benzenesulfonyl chloride
SMILESCn1nnc(COc2ccc(S(=O)(=O)Cl)cc2F)n1
InChIInChI=1S/C9H8ClFN4O3S/c1-15-13-9(12-14-15)5-18-8-3-2-6(4-7(8)11)19(10,16)17/h2-4H,5H2,1H3
InChIKeyHVAVKIGHOZERLP-UHFFFAOYSA-N
XLogP0.86
TPSA86.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.71
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]benzenesulfonyl 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

3-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonyl chloride
CID 82865967
[3-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanol
CID 107690642
3-fluoro-4-[(6-methyl-2-pyridinyl)methoxy]benzenesulfonyl chloride
CID 82916085
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3-fluorobenzenesulfonyl chloride
CID 82917859
5-[(5-chloro-2-methylphenoxy)methyl]-2-methyltetrazole
CID 107055238
3-chloro-4-[(2-methyltetrazol-5-yl)methoxy]aniline
CID 107040843
4-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzenesulfonyl chloride
CID 104796562
3-chloro-4-[(2-methyltetrazol-5-yl)methoxy]benzaldehyde
CID 107043154
3-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenesulfonyl chloride
CID 82916083
5-[(2-fluoro-3-methylphenoxy)methyl]-2-methyltetrazole
CID 107661914
3-fluoro-4-(2-pyrrolidin-1-ylethoxy)benzenesulfonyl chloride
CID 82916897
5-[(4-bromo-2-methylphenoxy)methyl]-2-methyltetrazole
CID 107043113

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]benzenesulfonyl chloride?
The IUPAC name of 3-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]benzenesulfonyl chloride (CID 107041913) is 3-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]benzenesulfonyl chloride.
What is the SMILES notation for 3-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]benzenesulfonyl chloride?
The canonical SMILES for 3-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]benzenesulfonyl chloride is Cn1nnc(COc2ccc(S(=O)(=O)Cl)cc2F)n1.
What is the InChIKey of 3-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]benzenesulfonyl chloride?
The InChIKey is HVAVKIGHOZERLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFN4O3S/c1-15-13-9(12-14-15)5-18-8-3-2-6(4-7(8)11)19(10,16)17/h2-4H,5H2,1H3.
What are the key properties of 3-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]benzenesulfonyl chloride?
3-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]benzenesulfonyl chloride has a molecular weight of 306.71 g/mol, XLogP of 0.86, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]benzenesulfonyl chloride is sourced from PubChem (CID 107041913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).