1-(2-chlorophenyl)-5-methylsulfonyltetrazole

C8H7ClN4O2S — CID 714350

IUPAC1-(2-chlorophenyl)-5-methylsulfonyltetrazole
SMILESCS(=O)(=O)c1nnnn1-c1ccccc1Cl
InChIInChI=1S/C8H7ClN4O2S/c1-16(14,15)8-10-11-12-13(8)7-5-3-2-4-6(7)9/h2-5H,1H3
InChIKeyUSMNYAYMJDKOMU-UHFFFAOYSA-N
MW258.69 g/mol
LogP0.72
Rot. Bonds2

About 1-(2-chlorophenyl)-5-methylsulfonyltetrazole

1-(2-chlorophenyl)-5-methylsulfonyltetrazole (PubChem CID 714350) has the molecular formula C8H7ClN4O2S and a molecular weight of 258.69 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-methylsulfonyltetrazole.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-methylsulfonyltetrazole
PubChem CID714350
Molecular FormulaC8H7ClN4O2S
Molecular Weight258.69 g/mol
Exact Mass258.00
IUPAC Name1-(2-chlorophenyl)-5-methylsulfonyltetrazole
SMILESCS(=O)(=O)c1nnnn1-c1ccccc1Cl
InChIInChI=1S/C8H7ClN4O2S/c1-16(14,15)8-10-11-12-13(8)7-5-3-2-4-6(7)9/h2-5H,1H3
InChIKeyUSMNYAYMJDKOMU-UHFFFAOYSA-N
XLogP0.72
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 ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-{[1-(2-chlorophenyl)-1H-tetrazol-5-yl]thio}acetamide
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1-(3-chlorophenyl)-5-(prop-2-ynylthio)-1H-1,2,3,4-tetraazole
CID 2731962
5-Ethylsulfonyl-1-phenyl-1H-tetrazole
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1-(4-chlorophenyl)-5-(methylthio)-1H-tetrazole
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5-(Methanesulfonyl)-1-phenyl-1H-tetrazole
CID 285132
5-Amino-O-chlorophenyl tetrazole
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5-butylsulfonyl-1-phenyl-1H-tetrazole
CID 53261455
5-difluoromethanesulfonyl-1-phenyl-1H-1,2,3,4-tetrazole
CID 138040752
1-(4-chlorophenyl)-5-(propan-2-ylsulfanyl)-1H-tetrazole
CID 828949
1-Phenyl-5-(propylsulfonyl)-1H-tetrazole
CID 6613044
1H-Tetrazole, 5-(pentylsulfonyl)-1-phenyl-
CID 11055066
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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-methylsulfonyltetrazole?
The IUPAC name of 1-(2-chlorophenyl)-5-methylsulfonyltetrazole (CID 714350) is 1-(2-chlorophenyl)-5-methylsulfonyltetrazole.
What is the SMILES notation for 1-(2-chlorophenyl)-5-methylsulfonyltetrazole?
The canonical SMILES for 1-(2-chlorophenyl)-5-methylsulfonyltetrazole is CS(=O)(=O)c1nnnn1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-5-methylsulfonyltetrazole?
The InChIKey is USMNYAYMJDKOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4O2S/c1-16(14,15)8-10-11-12-13(8)7-5-3-2-4-6(7)9/h2-5H,1H3.
What are the key properties of 1-(2-chlorophenyl)-5-methylsulfonyltetrazole?
1-(2-chlorophenyl)-5-methylsulfonyltetrazole has a molecular weight of 258.69 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-methylsulfonyltetrazole is sourced from PubChem (CID 714350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).