5-(aminomethyl)-1-methyl-N-(2,4,6-tribromophenyl)pyrrole-3-sulfonamide

C12H12Br3N3O2S — CID 106002438

IUPAC5-(aminomethyl)-1-methyl-N-(2,4,6-tribromophenyl)pyrrole-3-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2c(Br)cc(Br)cc2Br)cc1CN
InChIInChI=1S/C12H12Br3N3O2S/c1-18-6-9(4-8(18)5-16)21(19,20)17-12-10(14)2-7(13)3-11(12)15/h2-4,6,17H,5,16H2,1H3
InChIKeySOLUGIXZYLBBMT-UHFFFAOYSA-N
MW502.03 g/mol
LogP3.57
Rot. Bonds4

About 5-(aminomethyl)-1-methyl-N-(2,4,6-tribromophenyl)pyrrole-3-sulfonamide

5-(aminomethyl)-1-methyl-N-(2,4,6-tribromophenyl)pyrrole-3-sulfonamide (PubChem CID 106002438) has the molecular formula C12H12Br3N3O2S and a molecular weight of 502.03 g/mol. Its IUPAC name is 5-(aminomethyl)-1-methyl-N-(2,4,6-tribromophenyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-1-methyl-N-(2,4,6-tribromophenyl)pyrrole-3-sulfonamide
PubChem CID106002438
Molecular FormulaC12H12Br3N3O2S
Molecular Weight502.03 g/mol
Exact Mass498.82
IUPAC Name5-(aminomethyl)-1-methyl-N-(2,4,6-tribromophenyl)pyrrole-3-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2c(Br)cc(Br)cc2Br)cc1CN
InChIInChI=1S/C12H12Br3N3O2S/c1-18-6-9(4-8(18)5-16)21(19,20)17-12-10(14)2-7(13)3-11(12)15/h2-4,6,17H,5,16H2,1H3
InChIKeySOLUGIXZYLBBMT-UHFFFAOYSA-N
XLogP3.57
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.03
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-(4-bromo-2-ethylphenyl)-1-methylpyrrole-3-sulfonamide
CID 106073387
5-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-1-methylpyrrole-3-sulfonamide
CID 106070785
5-(aminomethyl)-N-(5-bromo-3-methyl-2-pyridinyl)-1-methylpyrrole-3-sulfonamide
CID 106076757
5-(aminomethyl)-N-[(2-bromophenyl)methyl]-1-methylpyrrole-3-sulfonamide
CID 106051880
5-(aminomethyl)-N-(2-fluoro-6-methylphenyl)-1-methylpyrrole-3-sulfonamide
CID 106083691
5-(aminomethyl)-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-3-sulfonamide
CID 106081058
5-(aminomethyl)-1-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrrole-3-sulfonamide
CID 102915873
5-(aminomethyl)-1-methyl-N-(2-methyl-3-pyridinyl)pyrrole-3-sulfonamide
CID 106070192
5-(aminomethyl)-1-methyl-N-(6-methyl-2-pyridinyl)pyrrole-3-sulfonamide
CID 106086845
5-(aminomethyl)-N-(3-chloro-2-methylphenyl)-1-methylpyrrole-3-sulfonamide
CID 106057318
5-(aminomethyl)-N-(1-ethylcyclobutyl)-1-methylpyrrole-3-sulfonamide
CID 113489226
5-(aminomethyl)-N-(1,3-benzodioxol-5-yl)-1-methylpyrrole-3-sulfonamide
CID 106023600

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-methyl-N-(2,4,6-tribromophenyl)pyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-1-methyl-N-(2,4,6-tribromophenyl)pyrrole-3-sulfonamide (CID 106002438) is 5-(aminomethyl)-1-methyl-N-(2,4,6-tribromophenyl)pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-1-methyl-N-(2,4,6-tribromophenyl)pyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-1-methyl-N-(2,4,6-tribromophenyl)pyrrole-3-sulfonamide is Cn1cc(S(=O)(=O)Nc2c(Br)cc(Br)cc2Br)cc1CN.
What is the InChIKey of 5-(aminomethyl)-1-methyl-N-(2,4,6-tribromophenyl)pyrrole-3-sulfonamide?
The InChIKey is SOLUGIXZYLBBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br3N3O2S/c1-18-6-9(4-8(18)5-16)21(19,20)17-12-10(14)2-7(13)3-11(12)15/h2-4,6,17H,5,16H2,1H3.
What are the key properties of 5-(aminomethyl)-1-methyl-N-(2,4,6-tribromophenyl)pyrrole-3-sulfonamide?
5-(aminomethyl)-1-methyl-N-(2,4,6-tribromophenyl)pyrrole-3-sulfonamide has a molecular weight of 502.03 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-methyl-N-(2,4,6-tribromophenyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 106002438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).