1-(4-bromophenyl)sulfonyl-3-methylpyrrole

C11H10BrNO2S — CID 69499935

IUPAC1-(4-bromophenyl)sulfonyl-3-methylpyrrole
SMILESCc1ccn(S(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C11H10BrNO2S/c1-9-6-7-13(8-9)16(14,15)11-4-2-10(12)3-5-11/h2-8H,1H3
InChIKeyNUENDZAOGWEJFR-UHFFFAOYSA-N
MW300.18 g/mol
LogP2.80
Rot. Bonds2

About 1-(4-bromophenyl)sulfonyl-3-methylpyrrole

1-(4-bromophenyl)sulfonyl-3-methylpyrrole (PubChem CID 69499935) has the molecular formula C11H10BrNO2S and a molecular weight of 300.18 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-3-methylpyrrole.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-3-methylpyrrole
PubChem CID69499935
Molecular FormulaC11H10BrNO2S
Molecular Weight300.18 g/mol
Exact Mass298.96
IUPAC Name1-(4-bromophenyl)sulfonyl-3-methylpyrrole
SMILESCc1ccn(S(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C11H10BrNO2S/c1-9-6-7-13(8-9)16(14,15)11-4-2-10(12)3-5-11/h2-8H,1H3
InChIKeyNUENDZAOGWEJFR-UHFFFAOYSA-N
XLogP2.80
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)sulfonylpyrrole-3-carboxylic acid
CID 84608718
1-(4-methylphenyl)sulfonylpyrrole-3-sulfonyl chloride
CID 86232436
1-(4-bromophenyl)sulfonyl-4-methylbenzene
CID 11426909
(2R)-2-(4-bromophenyl)-1-(4-methylphenyl)sulfonylaziridine
CID 7360494
1,4-bis-(4-methylphenyl)sulfonyl-1,4-diazocine
CID 12641448
3-buta-1,3-dien-2-yl-1-(4-methylphenyl)sulfonylpyrrole
CID 139226054
3-(4-bromophenyl)-1-(4-methylphenyl)sulfonyl-1,2,4-triazole
CID 170537963
1-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]propan-1-ol
CID 10378883
3-[(E)-2-methoxyethenyl]-1-(4-methylphenyl)sulfonylpyrrole
CID 14168434
2-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]propanoic acid
CID 10589806
1-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]octan-1-one
CID 14510074
[1-(4-methylphenyl)sulfonylpyrrol-3-yl]-thiophen-3-ylmethanone
CID 74888827

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-3-methylpyrrole?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-3-methylpyrrole (CID 69499935) is 1-(4-bromophenyl)sulfonyl-3-methylpyrrole.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-3-methylpyrrole?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-3-methylpyrrole is Cc1ccn(S(=O)(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-3-methylpyrrole?
The InChIKey is NUENDZAOGWEJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2S/c1-9-6-7-13(8-9)16(14,15)11-4-2-10(12)3-5-11/h2-8H,1H3.
What are the key properties of 1-(4-bromophenyl)sulfonyl-3-methylpyrrole?
1-(4-bromophenyl)sulfonyl-3-methylpyrrole has a molecular weight of 300.18 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonyl-3-methylpyrrole is sourced from PubChem (CID 69499935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).