3-[1-(4-chlorophenyl)sulfonylpyrrol-2-yl]-1-(2H-tetrazol-5-yl)prop-2-en-1-ol

C14H12ClN5O3S — CID 141025262

IUPAC3-[1-(4-chlorophenyl)sulfonylpyrrol-2-yl]-1-(2H-tetrazol-5-yl)prop-2-en-1-ol
SMILESO=S(=O)(c1ccc(Cl)cc1)n1cccc1C=CC(O)c1nn[nH]n1
InChIInChI=1S/C14H12ClN5O3S/c15-10-3-6-12(7-4-10)24(22,23)20-9-1-2-11(20)5-8-13(21)14-16-18-19-17-14/h1-9,13,21H,(H,16,17,18,19)
InChIKeyOFDAJKGWJZDXOC-UHFFFAOYSA-N
MW365.80 g/mol
LogP1.64
Rot. Bonds5

About 3-[1-(4-chlorophenyl)sulfonylpyrrol-2-yl]-1-(2H-tetrazol-5-yl)prop-2-en-1-ol

3-[1-(4-chlorophenyl)sulfonylpyrrol-2-yl]-1-(2H-tetrazol-5-yl)prop-2-en-1-ol (PubChem CID 141025262) has the molecular formula C14H12ClN5O3S and a molecular weight of 365.80 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)sulfonylpyrrol-2-yl]-1-(2H-tetrazol-5-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)sulfonylpyrrol-2-yl]-1-(2H-tetrazol-5-yl)prop-2-en-1-ol
PubChem CID141025262
Molecular FormulaC14H12ClN5O3S
Molecular Weight365.80 g/mol
Exact Mass365.03
IUPAC Name3-[1-(4-chlorophenyl)sulfonylpyrrol-2-yl]-1-(2H-tetrazol-5-yl)prop-2-en-1-ol
SMILESO=S(=O)(c1ccc(Cl)cc1)n1cccc1C=CC(O)c1nn[nH]n1
InChIInChI=1S/C14H12ClN5O3S/c15-10-3-6-12(7-4-10)24(22,23)20-9-1-2-11(20)5-8-13(21)14-16-18-19-17-14/h1-9,13,21H,(H,16,17,18,19)
InChIKeyOFDAJKGWJZDXOC-UHFFFAOYSA-N
XLogP1.64
TPSA113.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.80
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)sulfonylpyrrol-2-yl]-1-(2H-tetrazol-5-yl)prop-2-en-1-ol?
The IUPAC name of 3-[1-(4-chlorophenyl)sulfonylpyrrol-2-yl]-1-(2H-tetrazol-5-yl)prop-2-en-1-ol (CID 141025262) is 3-[1-(4-chlorophenyl)sulfonylpyrrol-2-yl]-1-(2H-tetrazol-5-yl)prop-2-en-1-ol.
What is the SMILES notation for 3-[1-(4-chlorophenyl)sulfonylpyrrol-2-yl]-1-(2H-tetrazol-5-yl)prop-2-en-1-ol?
The canonical SMILES for 3-[1-(4-chlorophenyl)sulfonylpyrrol-2-yl]-1-(2H-tetrazol-5-yl)prop-2-en-1-ol is O=S(=O)(c1ccc(Cl)cc1)n1cccc1C=CC(O)c1nn[nH]n1.
What is the InChIKey of 3-[1-(4-chlorophenyl)sulfonylpyrrol-2-yl]-1-(2H-tetrazol-5-yl)prop-2-en-1-ol?
The InChIKey is OFDAJKGWJZDXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5O3S/c15-10-3-6-12(7-4-10)24(22,23)20-9-1-2-11(20)5-8-13(21)14-16-18-19-17-14/h1-9,13,21H,(H,16,17,18,19).
What are the key properties of 3-[1-(4-chlorophenyl)sulfonylpyrrol-2-yl]-1-(2H-tetrazol-5-yl)prop-2-en-1-ol?
3-[1-(4-chlorophenyl)sulfonylpyrrol-2-yl]-1-(2H-tetrazol-5-yl)prop-2-en-1-ol has a molecular weight of 365.80 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)sulfonylpyrrol-2-yl]-1-(2H-tetrazol-5-yl)prop-2-en-1-ol is sourced from PubChem (CID 141025262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).