2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone

C19H19N5O4S2 — CID 2485853

IUPAC2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
SMILESO=C(CSc1nnnn1-c1ccc(O)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C19H19N5O4S2/c25-16-7-5-15(6-8-16)24-19(20-21-22-24)29-13-18(26)14-3-9-17(10-4-14)30(27,28)23-11-1-2-12-23/h3-10,25H,1-2,11-13H2
InChIKeyBRUIMAKVBRJRCI-UHFFFAOYSA-N
MW445.53 g/mol
LogP2.13
Rot. Bonds7

About 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone

2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone (PubChem CID 2485853) has the molecular formula C19H19N5O4S2 and a molecular weight of 445.53 g/mol. Its IUPAC name is 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
PubChem CID2485853
Molecular FormulaC19H19N5O4S2
Molecular Weight445.53 g/mol
Exact Mass445.09
IUPAC Name2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
SMILESO=C(CSc1nnnn1-c1ccc(O)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C19H19N5O4S2/c25-16-7-5-15(6-8-16)24-19(20-21-22-24)29-13-18(26)14-3-9-17(10-4-14)30(27,28)23-11-1-2-12-23/h3-10,25H,1-2,11-13H2
InChIKeyBRUIMAKVBRJRCI-UHFFFAOYSA-N
XLogP2.13
TPSA118.28 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.53
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-methyltetrazol-5-yl)sulfanyl-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
CID 8005917
1-(4-bromophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylethanone
CID 4814776
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-pyrrolidin-1-ylethanone
CID 7474216
1-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)ethanone
CID 7876932
4-[5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid;4-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyltetrazol-1-yl]benzoic acid;4-[5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyltetrazol-1-yl]benzoic acid
CID 163795878
1-(4-chlorophenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethanone
CID 2615952
4-[5-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyltetrazol-1-yl]benzamide
CID 2252796
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-1-(4-propan-2-ylphenyl)ethanone
CID 9360103
2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-1-(4-propan-2-ylphenyl)ethanone
CID 9407888
2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
CID 2663266
4-[5-(2-ethylsulfonylethylsulfanyl)tetrazol-1-yl]phenol
CID 60801602
2-[1-(4-methylsulfonylphenyl)tetrazol-5-yl]sulfanylacetic acid
CID 29070462

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone?
The IUPAC name of 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone (CID 2485853) is 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone.
What is the SMILES notation for 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone?
The canonical SMILES for 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone is O=C(CSc1nnnn1-c1ccc(O)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone?
The InChIKey is BRUIMAKVBRJRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4S2/c25-16-7-5-15(6-8-16)24-19(20-21-22-24)29-13-18(26)14-3-9-17(10-4-14)30(27,28)23-11-1-2-12-23/h3-10,25H,1-2,11-13H2.
What are the key properties of 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone?
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone has a molecular weight of 445.53 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone is sourced from PubChem (CID 2485853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).