3-(1-phenyltetrazol-5-yl)sulfonylpropanenitrile

C10H9N5O2S — CID 3242053

IUPAC3-(1-phenyltetrazol-5-yl)sulfonylpropanenitrile
SMILESN#CCCS(=O)(=O)c1nnnn1-c1ccccc1
InChIInChI=1S/C10H9N5O2S/c11-7-4-8-18(16,17)10-12-13-14-15(10)9-5-2-1-3-6-9/h1-3,5-6H,4,8H2
InChIKeyNSDKNMSBULTPIG-UHFFFAOYSA-N
MW263.28 g/mol
LogP0.35
Rot. Bonds4

About 3-(1-phenyltetrazol-5-yl)sulfonylpropanenitrile

3-(1-phenyltetrazol-5-yl)sulfonylpropanenitrile (PubChem CID 3242053) has the molecular formula C10H9N5O2S and a molecular weight of 263.28 g/mol. Its IUPAC name is 3-(1-phenyltetrazol-5-yl)sulfonylpropanenitrile.

Molecular Properties

Compound Name3-(1-phenyltetrazol-5-yl)sulfonylpropanenitrile
PubChem CID3242053
Molecular FormulaC10H9N5O2S
Molecular Weight263.28 g/mol
Exact Mass263.05
IUPAC Name3-(1-phenyltetrazol-5-yl)sulfonylpropanenitrile
SMILESN#CCCS(=O)(=O)c1nnnn1-c1ccccc1
InChIInChI=1S/C10H9N5O2S/c11-7-4-8-18(16,17)10-12-13-14-15(10)9-5-2-1-3-6-9/h1-3,5-6H,4,8H2
InChIKeyNSDKNMSBULTPIG-UHFFFAOYSA-N
XLogP0.35
TPSA101.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-(4-fluorophenyl)ethylsulfonyl]-1-phenyltetrazole
CID 56965739
5-(3-nitropropylsulfonyl)-1-phenyltetrazole
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5-[(2S)-2-methylbutyl]sulfonyl-1-phenyltetrazole
CID 10707883
5-(1-phenyltetrazol-5-yl)sulfanylpentanenitrile
CID 60625385
3,3-dimethyl-1-(1-phenyltetrazol-5-yl)sulfonylbutan-2-one
CID 50992481
2-benzyl-4-(1-phenyltetrazol-5-yl)sulfonyl-2-[4-(trifluoromethyl)phenyl]sulfonylbutanenitrile
CID 162539192
5-[2-(1,3-benzodioxol-5-yl)ethylsulfonyl]-1-phenyltetrazole
CID 46869109
1-phenyltetrazole-5-carbonitrile
CID 12718731
5-[(3-nitrophenyl)methylsulfonyl]-1-phenyltetrazole
CID 146319143
[(2R,3S)-3-[2-(1-phenyltetrazol-5-yl)sulfonylethyl]oxiran-2-yl] N,N-di(propan-2-yl)carbamate
CID 71475268
4-[[1-(4-cyanophenyl)tetrazol-5-yl]sulfonylmethyl]benzoic acid
CID 146155475
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CID 134982793

Frequently Asked Questions

What is the IUPAC name of 3-(1-phenyltetrazol-5-yl)sulfonylpropanenitrile?
The IUPAC name of 3-(1-phenyltetrazol-5-yl)sulfonylpropanenitrile (CID 3242053) is 3-(1-phenyltetrazol-5-yl)sulfonylpropanenitrile.
What is the SMILES notation for 3-(1-phenyltetrazol-5-yl)sulfonylpropanenitrile?
The canonical SMILES for 3-(1-phenyltetrazol-5-yl)sulfonylpropanenitrile is N#CCCS(=O)(=O)c1nnnn1-c1ccccc1.
What is the InChIKey of 3-(1-phenyltetrazol-5-yl)sulfonylpropanenitrile?
The InChIKey is NSDKNMSBULTPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O2S/c11-7-4-8-18(16,17)10-12-13-14-15(10)9-5-2-1-3-6-9/h1-3,5-6H,4,8H2.
What are the key properties of 3-(1-phenyltetrazol-5-yl)sulfonylpropanenitrile?
3-(1-phenyltetrazol-5-yl)sulfonylpropanenitrile has a molecular weight of 263.28 g/mol, XLogP of 0.35, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenyltetrazol-5-yl)sulfonylpropanenitrile is sourced from PubChem (CID 3242053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).