3-(4-methylphenyl)sulfinyl-1H-pyrrole

C11H11NOS — CID 12674770

IUPAC3-(4-methylphenyl)sulfinyl-1H-pyrrole
SMILESCc1ccc(S(=O)c2cc[nH]c2)cc1
InChIInChI=1S/C11H11NOS/c1-9-2-4-10(5-3-9)14(13)11-6-7-12-8-11/h2-8,12H,1H3
InChIKeyXPFBVBDRJWLYGL-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.49
Rot. Bonds2

About 3-(4-methylphenyl)sulfinyl-1H-pyrrole

3-(4-methylphenyl)sulfinyl-1H-pyrrole (PubChem CID 12674770) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfinyl-1H-pyrrole.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfinyl-1H-pyrrole
PubChem CID12674770
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Name3-(4-methylphenyl)sulfinyl-1H-pyrrole
SMILESCc1ccc(S(=O)c2cc[nH]c2)cc1
InChIInChI=1S/C11H11NOS/c1-9-2-4-10(5-3-9)14(13)11-6-7-12-8-11/h2-8,12H,1H3
InChIKeyXPFBVBDRJWLYGL-UHFFFAOYSA-N
XLogP2.49
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-Tosylpyrrole
CID 640087
Benzenesulfonic acid, 4-methyl-, compd. with pyridine (1:1)
CID 466102
[(1R)-6-(1H-pyrrol-3-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
CID 46889917
N-methyl-1-[(1R)-6-(1H-pyrrol-3-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
CID 46889918
2-(4-methylsulfonylphenyl)-3-(4-fluorophenyl)-1H-pyrrole
CID 10313600
4-(2-((1H-pyrrol-2-yl)methyleneamino)ethyl)benzenesulfonamide
CID 136118030
(Z)-1-(4-ethylsulfonylphenyl)-N-methoxy-1-(1H-pyrrol-2-yl)methanimine
CID 135925156
N-[2-(4-methylsulfonylphenyl)ethyl]-N'-[2-(1H-pyrrol-3-yl)ethyl]hexane-1,6-diamine
CID 12049895
N-[2-(4-methylsulfonylphenyl)ethyl]-N'-(2-pyridin-3-ylethyl)hexane-1,6-diamine
CID 12049901
5-[[4-(4-methylphenyl)sulfonyl-1H-pyrrol-3-yl]sulfonylmethyl]-3H-1,3,4-thiadiazole-2-thione
CID 42632071
2-[[4-(4-methylphenyl)sulfonyl-1H-pyrrol-3-yl]sulfonylmethyl]-4,5-dihydro-1,3-oxazole
CID 46837868
2-[[4-(4-methylphenyl)sulfonyl-1H-pyrrol-3-yl]sulfonylmethyl]-4,5-dihydro-1,3-thiazole
CID 46838003

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfinyl-1H-pyrrole?
The IUPAC name of 3-(4-methylphenyl)sulfinyl-1H-pyrrole (CID 12674770) is 3-(4-methylphenyl)sulfinyl-1H-pyrrole.
What is the SMILES notation for 3-(4-methylphenyl)sulfinyl-1H-pyrrole?
The canonical SMILES for 3-(4-methylphenyl)sulfinyl-1H-pyrrole is Cc1ccc(S(=O)c2cc[nH]c2)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfinyl-1H-pyrrole?
The InChIKey is XPFBVBDRJWLYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c1-9-2-4-10(5-3-9)14(13)11-6-7-12-8-11/h2-8,12H,1H3.
What are the key properties of 3-(4-methylphenyl)sulfinyl-1H-pyrrole?
3-(4-methylphenyl)sulfinyl-1H-pyrrole has a molecular weight of 205.28 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfinyl-1H-pyrrole is sourced from PubChem (CID 12674770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).