4-fluoro-3-(5-methyltetrazol-1-yl)benzenesulfonyl chloride

C8H6ClFN4O2S — CID 63104332

IUPAC4-fluoro-3-(5-methyltetrazol-1-yl)benzenesulfonyl chloride
SMILESCc1nnnn1-c1cc(S(=O)(=O)Cl)ccc1F
InChIInChI=1S/C8H6ClFN4O2S/c1-5-11-12-13-14(5)8-4-6(17(9,15)16)2-3-7(8)10/h2-4H,1H3
InChIKeyZMCMMXGRMPDTSF-UHFFFAOYSA-N
MW276.68 g/mol
LogP1.04
Rot. Bonds2

About 4-fluoro-3-(5-methyltetrazol-1-yl)benzenesulfonyl chloride

4-fluoro-3-(5-methyltetrazol-1-yl)benzenesulfonyl chloride (PubChem CID 63104332) has the molecular formula C8H6ClFN4O2S and a molecular weight of 276.68 g/mol. Its IUPAC name is 4-fluoro-3-(5-methyltetrazol-1-yl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-fluoro-3-(5-methyltetrazol-1-yl)benzenesulfonyl chloride
PubChem CID63104332
Molecular FormulaC8H6ClFN4O2S
Molecular Weight276.68 g/mol
Exact Mass275.99
IUPAC Name4-fluoro-3-(5-methyltetrazol-1-yl)benzenesulfonyl chloride
SMILESCc1nnnn1-c1cc(S(=O)(=O)Cl)ccc1F
InChIInChI=1S/C8H6ClFN4O2S/c1-5-11-12-13-14(5)8-4-6(17(9,15)16)2-3-7(8)10/h2-4H,1H3
InChIKeyZMCMMXGRMPDTSF-UHFFFAOYSA-N
XLogP1.04
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.68
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(5-methyltetrazol-1-yl)benzenesulfonyl chloride?
The IUPAC name of 4-fluoro-3-(5-methyltetrazol-1-yl)benzenesulfonyl chloride (CID 63104332) is 4-fluoro-3-(5-methyltetrazol-1-yl)benzenesulfonyl chloride.
What is the SMILES notation for 4-fluoro-3-(5-methyltetrazol-1-yl)benzenesulfonyl chloride?
The canonical SMILES for 4-fluoro-3-(5-methyltetrazol-1-yl)benzenesulfonyl chloride is Cc1nnnn1-c1cc(S(=O)(=O)Cl)ccc1F.
What is the InChIKey of 4-fluoro-3-(5-methyltetrazol-1-yl)benzenesulfonyl chloride?
The InChIKey is ZMCMMXGRMPDTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFN4O2S/c1-5-11-12-13-14(5)8-4-6(17(9,15)16)2-3-7(8)10/h2-4H,1H3.
What are the key properties of 4-fluoro-3-(5-methyltetrazol-1-yl)benzenesulfonyl chloride?
4-fluoro-3-(5-methyltetrazol-1-yl)benzenesulfonyl chloride has a molecular weight of 276.68 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(5-methyltetrazol-1-yl)benzenesulfonyl chloride is sourced from PubChem (CID 63104332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).