1-(2-chlorophenyl)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpropan-2-ol

C20H17ClN4OS — CID 5275126

IUPAC1-(2-chlorophenyl)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpropan-2-ol
SMILESOC(CSc1nnnn1-c1cccc2ccccc12)Cc1ccccc1Cl
InChIInChI=1S/C20H17ClN4OS/c21-18-10-4-2-7-15(18)12-16(26)13-27-20-22-23-24-25(20)19-11-5-8-14-6-1-3-9-17(14)19/h1-11,16,26H,12-13H2
InChIKeyJERWFSISCUYIPN-UHFFFAOYSA-N
MW396.90 g/mol
LogP4.16
Rot. Bonds6

About 1-(2-chlorophenyl)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpropan-2-ol

1-(2-chlorophenyl)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpropan-2-ol (PubChem CID 5275126) has the molecular formula C20H17ClN4OS and a molecular weight of 396.90 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpropan-2-ol
PubChem CID5275126
Molecular FormulaC20H17ClN4OS
Molecular Weight396.90 g/mol
Exact Mass396.08
IUPAC Name1-(2-chlorophenyl)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpropan-2-ol
SMILESOC(CSc1nnnn1-c1cccc2ccccc12)Cc1ccccc1Cl
InChIInChI=1S/C20H17ClN4OS/c21-18-10-4-2-7-15(18)12-16(26)13-27-20-22-23-24-25(20)19-11-5-8-14-6-1-3-9-17(14)19/h1-11,16,26H,12-13H2
InChIKeyJERWFSISCUYIPN-UHFFFAOYSA-N
XLogP4.16
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpropan-2-ol?
The IUPAC name of 1-(2-chlorophenyl)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpropan-2-ol (CID 5275126) is 1-(2-chlorophenyl)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpropan-2-ol?
The canonical SMILES for 1-(2-chlorophenyl)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpropan-2-ol is OC(CSc1nnnn1-c1cccc2ccccc12)Cc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpropan-2-ol?
The InChIKey is JERWFSISCUYIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4OS/c21-18-10-4-2-7-15(18)12-16(26)13-27-20-22-23-24-25(20)19-11-5-8-14-6-1-3-9-17(14)19/h1-11,16,26H,12-13H2.
What are the key properties of 1-(2-chlorophenyl)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpropan-2-ol?
1-(2-chlorophenyl)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpropan-2-ol has a molecular weight of 396.90 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpropan-2-ol is sourced from PubChem (CID 5275126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).