2-(2-propyltetrazol-5-yl)ethanesulfonyl chloride

C6H11ClN4O2S — CID 84799367

IUPAC2-(2-propyltetrazol-5-yl)ethanesulfonyl chloride
SMILESCCCn1nnc(CCS(=O)(=O)Cl)n1
InChIInChI=1S/C6H11ClN4O2S/c1-2-4-11-9-6(8-10-11)3-5-14(7,12)13/h2-5H2,1H3
InChIKeyXQIWNPBSYILWPK-UHFFFAOYSA-N
MW238.70 g/mol
LogP0.19
Rot. Bonds5

About 2-(2-propyltetrazol-5-yl)ethanesulfonyl chloride

2-(2-propyltetrazol-5-yl)ethanesulfonyl chloride (PubChem CID 84799367) has the molecular formula C6H11ClN4O2S and a molecular weight of 238.70 g/mol. Its IUPAC name is 2-(2-propyltetrazol-5-yl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(2-propyltetrazol-5-yl)ethanesulfonyl chloride
PubChem CID84799367
Molecular FormulaC6H11ClN4O2S
Molecular Weight238.70 g/mol
Exact Mass238.03
IUPAC Name2-(2-propyltetrazol-5-yl)ethanesulfonyl chloride
SMILESCCCn1nnc(CCS(=O)(=O)Cl)n1
InChIInChI=1S/C6H11ClN4O2S/c1-2-4-11-9-6(8-10-11)3-5-14(7,12)13/h2-5H2,1H3
InChIKeyXQIWNPBSYILWPK-UHFFFAOYSA-N
XLogP0.19
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.70
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propyltetrazol-5-yl)ethanesulfonyl chloride?
The IUPAC name of 2-(2-propyltetrazol-5-yl)ethanesulfonyl chloride (CID 84799367) is 2-(2-propyltetrazol-5-yl)ethanesulfonyl chloride.
What is the SMILES notation for 2-(2-propyltetrazol-5-yl)ethanesulfonyl chloride?
The canonical SMILES for 2-(2-propyltetrazol-5-yl)ethanesulfonyl chloride is CCCn1nnc(CCS(=O)(=O)Cl)n1.
What is the InChIKey of 2-(2-propyltetrazol-5-yl)ethanesulfonyl chloride?
The InChIKey is XQIWNPBSYILWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClN4O2S/c1-2-4-11-9-6(8-10-11)3-5-14(7,12)13/h2-5H2,1H3.
What are the key properties of 2-(2-propyltetrazol-5-yl)ethanesulfonyl chloride?
2-(2-propyltetrazol-5-yl)ethanesulfonyl chloride has a molecular weight of 238.70 g/mol, XLogP of 0.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propyltetrazol-5-yl)ethanesulfonyl chloride is sourced from PubChem (CID 84799367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).