N-(2-bromophenyl)sulfonyl-4-methyl-3-pyrrol-1-ylbenzamide

C18H15BrN2O3S — CID 110166914

IUPACN-(2-bromophenyl)sulfonyl-4-methyl-3-pyrrol-1-ylbenzamide
SMILESCc1ccc(C(=O)NS(=O)(=O)c2ccccc2Br)cc1-n1cccc1
InChIInChI=1S/C18H15BrN2O3S/c1-13-8-9-14(12-16(13)21-10-4-5-11-21)18(22)20-25(23,24)17-7-3-2-6-15(17)19/h2-12H,1H3,(H,20,22)
InChIKeyAAVFZPLWDJMVKL-UHFFFAOYSA-N
MW419.30 g/mol
LogP3.67
Rot. Bonds4

About N-(2-bromophenyl)sulfonyl-4-methyl-3-pyrrol-1-ylbenzamide

N-(2-bromophenyl)sulfonyl-4-methyl-3-pyrrol-1-ylbenzamide (PubChem CID 110166914) has the molecular formula C18H15BrN2O3S and a molecular weight of 419.30 g/mol. Its IUPAC name is N-(2-bromophenyl)sulfonyl-4-methyl-3-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-(2-bromophenyl)sulfonyl-4-methyl-3-pyrrol-1-ylbenzamide
PubChem CID110166914
Molecular FormulaC18H15BrN2O3S
Molecular Weight419.30 g/mol
Exact Mass418.00
IUPAC NameN-(2-bromophenyl)sulfonyl-4-methyl-3-pyrrol-1-ylbenzamide
SMILESCc1ccc(C(=O)NS(=O)(=O)c2ccccc2Br)cc1-n1cccc1
InChIInChI=1S/C18H15BrN2O3S/c1-13-8-9-14(12-16(13)21-10-4-5-11-21)18(22)20-25(23,24)17-7-3-2-6-15(17)19/h2-12H,1H3,(H,20,22)
InChIKeyAAVFZPLWDJMVKL-UHFFFAOYSA-N
XLogP3.67
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.30
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)sulfonyl-4-methyl-3-pyrrol-1-ylbenzamide?
The IUPAC name of N-(2-bromophenyl)sulfonyl-4-methyl-3-pyrrol-1-ylbenzamide (CID 110166914) is N-(2-bromophenyl)sulfonyl-4-methyl-3-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-(2-bromophenyl)sulfonyl-4-methyl-3-pyrrol-1-ylbenzamide?
The canonical SMILES for N-(2-bromophenyl)sulfonyl-4-methyl-3-pyrrol-1-ylbenzamide is Cc1ccc(C(=O)NS(=O)(=O)c2ccccc2Br)cc1-n1cccc1.
What is the InChIKey of N-(2-bromophenyl)sulfonyl-4-methyl-3-pyrrol-1-ylbenzamide?
The InChIKey is AAVFZPLWDJMVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O3S/c1-13-8-9-14(12-16(13)21-10-4-5-11-21)18(22)20-25(23,24)17-7-3-2-6-15(17)19/h2-12H,1H3,(H,20,22).
What are the key properties of N-(2-bromophenyl)sulfonyl-4-methyl-3-pyrrol-1-ylbenzamide?
N-(2-bromophenyl)sulfonyl-4-methyl-3-pyrrol-1-ylbenzamide has a molecular weight of 419.30 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)sulfonyl-4-methyl-3-pyrrol-1-ylbenzamide is sourced from PubChem (CID 110166914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).