1-(2,3-dichlorophenyl)-N-[(2-methylsulfonylphenyl)methyl]tetrazol-5-amine

C15H13Cl2N5O2S — CID 53249126

IUPAC1-(2,3-dichlorophenyl)-N-[(2-methylsulfonylphenyl)methyl]tetrazol-5-amine
SMILESCS(=O)(=O)c1ccccc1CNc1nnnn1-c1cccc(Cl)c1Cl
InChIInChI=1S/C15H13Cl2N5O2S/c1-25(23,24)13-8-3-2-5-10(13)9-18-15-19-20-21-22(15)12-7-4-6-11(16)14(12)17/h2-8H,9H2,1H3,(H,18,19,21)
InChIKeyLNSOSNLLMFPBSI-UHFFFAOYSA-N
MW398.28 g/mol
LogP2.98
Rot. Bonds5

About 1-(2,3-dichlorophenyl)-N-[(2-methylsulfonylphenyl)methyl]tetrazol-5-amine

1-(2,3-dichlorophenyl)-N-[(2-methylsulfonylphenyl)methyl]tetrazol-5-amine (PubChem CID 53249126) has the molecular formula C15H13Cl2N5O2S and a molecular weight of 398.28 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-[(2-methylsulfonylphenyl)methyl]tetrazol-5-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-[(2-methylsulfonylphenyl)methyl]tetrazol-5-amine
PubChem CID53249126
Molecular FormulaC15H13Cl2N5O2S
Molecular Weight398.28 g/mol
Exact Mass397.02
IUPAC Name1-(2,3-dichlorophenyl)-N-[(2-methylsulfonylphenyl)methyl]tetrazol-5-amine
SMILESCS(=O)(=O)c1ccccc1CNc1nnnn1-c1cccc(Cl)c1Cl
InChIInChI=1S/C15H13Cl2N5O2S/c1-25(23,24)13-8-3-2-5-10(13)9-18-15-19-20-21-22(15)12-7-4-6-11(16)14(12)17/h2-8H,9H2,1H3,(H,18,19,21)
InChIKeyLNSOSNLLMFPBSI-UHFFFAOYSA-N
XLogP2.98
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.28
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-[(2-methylsulfonylphenyl)methyl]tetrazol-5-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-[(2-methylsulfonylphenyl)methyl]tetrazol-5-amine (CID 53249126) is 1-(2,3-dichlorophenyl)-N-[(2-methylsulfonylphenyl)methyl]tetrazol-5-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-[(2-methylsulfonylphenyl)methyl]tetrazol-5-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-[(2-methylsulfonylphenyl)methyl]tetrazol-5-amine is CS(=O)(=O)c1ccccc1CNc1nnnn1-c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-[(2-methylsulfonylphenyl)methyl]tetrazol-5-amine?
The InChIKey is LNSOSNLLMFPBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N5O2S/c1-25(23,24)13-8-3-2-5-10(13)9-18-15-19-20-21-22(15)12-7-4-6-11(16)14(12)17/h2-8H,9H2,1H3,(H,18,19,21).
What are the key properties of 1-(2,3-dichlorophenyl)-N-[(2-methylsulfonylphenyl)methyl]tetrazol-5-amine?
1-(2,3-dichlorophenyl)-N-[(2-methylsulfonylphenyl)methyl]tetrazol-5-amine has a molecular weight of 398.28 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-N-[(2-methylsulfonylphenyl)methyl]tetrazol-5-amine is sourced from PubChem (CID 53249126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).