5-[3-[(2,5-dichlorophenyl)sulfonylmethyl]phenyl]-2H-tetrazole

C14H10Cl2N4O2S — CID 148675607

IUPAC5-[3-[(2,5-dichlorophenyl)sulfonylmethyl]phenyl]-2H-tetrazole
SMILESO=S(=O)(Cc1cccc(-c2nn[nH]n2)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H10Cl2N4O2S/c15-11-4-5-12(16)13(7-11)23(21,22)8-9-2-1-3-10(6-9)14-17-19-20-18-14/h1-7H,8H2,(H,17,18,19,20)
InChIKeyNQOUJMSOWIDQAB-UHFFFAOYSA-N
MW369.23 g/mol
LogP3.15
Rot. Bonds4

About 5-[3-[(2,5-dichlorophenyl)sulfonylmethyl]phenyl]-2H-tetrazole

5-[3-[(2,5-dichlorophenyl)sulfonylmethyl]phenyl]-2H-tetrazole (PubChem CID 148675607) has the molecular formula C14H10Cl2N4O2S and a molecular weight of 369.23 g/mol. Its IUPAC name is 5-[3-[(2,5-dichlorophenyl)sulfonylmethyl]phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[3-[(2,5-dichlorophenyl)sulfonylmethyl]phenyl]-2H-tetrazole
PubChem CID148675607
Molecular FormulaC14H10Cl2N4O2S
Molecular Weight369.23 g/mol
Exact Mass367.99
IUPAC Name5-[3-[(2,5-dichlorophenyl)sulfonylmethyl]phenyl]-2H-tetrazole
SMILESO=S(=O)(Cc1cccc(-c2nn[nH]n2)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H10Cl2N4O2S/c15-11-4-5-12(16)13(7-11)23(21,22)8-9-2-1-3-10(6-9)14-17-19-20-18-14/h1-7H,8H2,(H,17,18,19,20)
InChIKeyNQOUJMSOWIDQAB-UHFFFAOYSA-N
XLogP3.15
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.23
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2,5-dichlorophenyl)sulfonylmethyl]phenyl]-2H-tetrazole?
The IUPAC name of 5-[3-[(2,5-dichlorophenyl)sulfonylmethyl]phenyl]-2H-tetrazole (CID 148675607) is 5-[3-[(2,5-dichlorophenyl)sulfonylmethyl]phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[3-[(2,5-dichlorophenyl)sulfonylmethyl]phenyl]-2H-tetrazole?
The canonical SMILES for 5-[3-[(2,5-dichlorophenyl)sulfonylmethyl]phenyl]-2H-tetrazole is O=S(=O)(Cc1cccc(-c2nn[nH]n2)c1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 5-[3-[(2,5-dichlorophenyl)sulfonylmethyl]phenyl]-2H-tetrazole?
The InChIKey is NQOUJMSOWIDQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4O2S/c15-11-4-5-12(16)13(7-11)23(21,22)8-9-2-1-3-10(6-9)14-17-19-20-18-14/h1-7H,8H2,(H,17,18,19,20).
What are the key properties of 5-[3-[(2,5-dichlorophenyl)sulfonylmethyl]phenyl]-2H-tetrazole?
5-[3-[(2,5-dichlorophenyl)sulfonylmethyl]phenyl]-2H-tetrazole has a molecular weight of 369.23 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(2,5-dichlorophenyl)sulfonylmethyl]phenyl]-2H-tetrazole is sourced from PubChem (CID 148675607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).