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

C8H7ClN4O2S — CID 43363648

IUPAC3-(1-methyltetrazol-5-yl)benzenesulfonyl chloride
SMILESCn1nnnc1-c1cccc(S(=O)(=O)Cl)c1
InChIInChI=1S/C8H7ClN4O2S/c1-13-8(10-11-12-13)6-3-2-4-7(5-6)16(9,14)15/h2-5H,1H3
InChIKeyUKEAVZFPEYKYKG-UHFFFAOYSA-N
MW258.69 g/mol
LogP0.80
Rot. Bonds2

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

3-(1-methyltetrazol-5-yl)benzenesulfonyl chloride (PubChem CID 43363648) has the molecular formula C8H7ClN4O2S and a molecular weight of 258.69 g/mol. Its IUPAC name is 3-(1-methyltetrazol-5-yl)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-(1-methyltetrazol-5-yl)benzenesulfonyl chloride
PubChem CID43363648
Molecular FormulaC8H7ClN4O2S
Molecular Weight258.69 g/mol
Exact Mass258.00
IUPAC Name3-(1-methyltetrazol-5-yl)benzenesulfonyl chloride
SMILESCn1nnnc1-c1cccc(S(=O)(=O)Cl)c1
InChIInChI=1S/C8H7ClN4O2S/c1-13-8(10-11-12-13)6-3-2-4-7(5-6)16(9,14)15/h2-5H,1H3
InChIKeyUKEAVZFPEYKYKG-UHFFFAOYSA-N
XLogP0.80
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.69
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methyltetrazol-5-yl)benzenesulfonyl chloride?
The IUPAC name of 3-(1-methyltetrazol-5-yl)benzenesulfonyl chloride (CID 43363648) is 3-(1-methyltetrazol-5-yl)benzenesulfonyl chloride.
What is the SMILES notation for 3-(1-methyltetrazol-5-yl)benzenesulfonyl chloride?
The canonical SMILES for 3-(1-methyltetrazol-5-yl)benzenesulfonyl chloride is Cn1nnnc1-c1cccc(S(=O)(=O)Cl)c1.
What is the InChIKey of 3-(1-methyltetrazol-5-yl)benzenesulfonyl chloride?
The InChIKey is UKEAVZFPEYKYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4O2S/c1-13-8(10-11-12-13)6-3-2-4-7(5-6)16(9,14)15/h2-5H,1H3.
What are the key properties of 3-(1-methyltetrazol-5-yl)benzenesulfonyl chloride?
3-(1-methyltetrazol-5-yl)benzenesulfonyl chloride has a molecular weight of 258.69 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyltetrazol-5-yl)benzenesulfonyl chloride is sourced from PubChem (CID 43363648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).