[1-(4-methylphenyl)sulfonylpyrrol-3-yl]-thiophen-3-ylmethanone

C16H13NO3S2 — CID 74888827

IUPAC[1-(4-methylphenyl)sulfonylpyrrol-3-yl]-thiophen-3-ylmethanone
SMILESCc1ccc(S(=O)(=O)n2ccc(C(=O)c3ccsc3)c2)cc1
InChIInChI=1S/C16H13NO3S2/c1-12-2-4-15(5-3-12)22(19,20)17-8-6-13(10-17)16(18)14-7-9-21-11-14/h2-11H,1H3
InChIKeyZILPYVHDLBWLQT-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.33
Rot. Bonds4

About [1-(4-methylphenyl)sulfonylpyrrol-3-yl]-thiophen-3-ylmethanone

[1-(4-methylphenyl)sulfonylpyrrol-3-yl]-thiophen-3-ylmethanone (PubChem CID 74888827) has the molecular formula C16H13NO3S2 and a molecular weight of 331.42 g/mol. Its IUPAC name is [1-(4-methylphenyl)sulfonylpyrrol-3-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[1-(4-methylphenyl)sulfonylpyrrol-3-yl]-thiophen-3-ylmethanone
PubChem CID74888827
Molecular FormulaC16H13NO3S2
Molecular Weight331.42 g/mol
Exact Mass331.03
IUPAC Name[1-(4-methylphenyl)sulfonylpyrrol-3-yl]-thiophen-3-ylmethanone
SMILESCc1ccc(S(=O)(=O)n2ccc(C(=O)c3ccsc3)c2)cc1
InChIInChI=1S/C16H13NO3S2/c1-12-2-4-15(5-3-12)22(19,20)17-8-6-13(10-17)16(18)14-7-9-21-11-14/h2-11H,1H3
InChIKeyZILPYVHDLBWLQT-UHFFFAOYSA-N
XLogP3.33
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-buta-1,3-dien-2-yl-1-(4-methylphenyl)sulfonylpyrrole
CID 139226054
1-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]-2-(1,3-thiazol-2-yl)ethanone
CID 58217503
1-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]octan-1-one
CID 14510074
1-(4-methylphenyl)sulfonylpyrrole-3-sulfonyl chloride
CID 86232436
1-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 146501073
1-(4-methylphenyl)sulfonyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrrole-3-carboxamide
CID 146501054
3-[[1-(4-methylphenyl)sulfonylpyrrole-3-carbonyl]amino]butanoic acid
CID 119221019
2-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]propanoic acid
CID 10589806
1-(4-methylphenyl)sulfonyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrole-3-carboxamide
CID 146501048
N-[2-(methylamino)propyl]-1-(4-methylphenyl)sulfonylpyrrole-3-carboxamide
CID 120830377
1-[[1-(4-methylphenyl)sulfonylpyrrole-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 119176545
N-[(2R)-1-methoxypropan-2-yl]-1-(4-methylphenyl)sulfonylpyrrole-3-carboxamide
CID 95305472

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylphenyl)sulfonylpyrrol-3-yl]-thiophen-3-ylmethanone?
The IUPAC name of [1-(4-methylphenyl)sulfonylpyrrol-3-yl]-thiophen-3-ylmethanone (CID 74888827) is [1-(4-methylphenyl)sulfonylpyrrol-3-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [1-(4-methylphenyl)sulfonylpyrrol-3-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [1-(4-methylphenyl)sulfonylpyrrol-3-yl]-thiophen-3-ylmethanone is Cc1ccc(S(=O)(=O)n2ccc(C(=O)c3ccsc3)c2)cc1.
What is the InChIKey of [1-(4-methylphenyl)sulfonylpyrrol-3-yl]-thiophen-3-ylmethanone?
The InChIKey is ZILPYVHDLBWLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3S2/c1-12-2-4-15(5-3-12)22(19,20)17-8-6-13(10-17)16(18)14-7-9-21-11-14/h2-11H,1H3.
What are the key properties of [1-(4-methylphenyl)sulfonylpyrrol-3-yl]-thiophen-3-ylmethanone?
[1-(4-methylphenyl)sulfonylpyrrol-3-yl]-thiophen-3-ylmethanone has a molecular weight of 331.42 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylphenyl)sulfonylpyrrol-3-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 74888827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).