5-(aminomethyl)-N-[(2-bromophenyl)methyl]-1-methylpyrrole-3-sulfonamide

C13H16BrN3O2S — CID 106051880

IUPAC5-(aminomethyl)-N-[(2-bromophenyl)methyl]-1-methylpyrrole-3-sulfonamide
SMILESCn1cc(S(=O)(=O)NCc2ccccc2Br)cc1CN
InChIInChI=1S/C13H16BrN3O2S/c1-17-9-12(6-11(17)7-15)20(18,19)16-8-10-4-2-3-5-13(10)14/h2-6,9,16H,7-8,15H2,1H3
InChIKeyZSCLPGGLWCZNPB-UHFFFAOYSA-N
MW358.26 g/mol
LogP1.72
Rot. Bonds5

About 5-(aminomethyl)-N-[(2-bromophenyl)methyl]-1-methylpyrrole-3-sulfonamide

5-(aminomethyl)-N-[(2-bromophenyl)methyl]-1-methylpyrrole-3-sulfonamide (PubChem CID 106051880) has the molecular formula C13H16BrN3O2S and a molecular weight of 358.26 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[(2-bromophenyl)methyl]-1-methylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[(2-bromophenyl)methyl]-1-methylpyrrole-3-sulfonamide
PubChem CID106051880
Molecular FormulaC13H16BrN3O2S
Molecular Weight358.26 g/mol
Exact Mass357.01
IUPAC Name5-(aminomethyl)-N-[(2-bromophenyl)methyl]-1-methylpyrrole-3-sulfonamide
SMILESCn1cc(S(=O)(=O)NCc2ccccc2Br)cc1CN
InChIInChI=1S/C13H16BrN3O2S/c1-17-9-12(6-11(17)7-15)20(18,19)16-8-10-4-2-3-5-13(10)14/h2-6,9,16H,7-8,15H2,1H3
InChIKeyZSCLPGGLWCZNPB-UHFFFAOYSA-N
XLogP1.72
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.26
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-[(4-ethylphenyl)methyl]-1-methylpyrrole-3-sulfonamide
CID 106088937
N-[(2-bromophenyl)methyl]-1-methylpyrazole-4-sulfonamide
CID 62049706
5-(aminomethyl)-1-methyl-N-(2,4,6-tribromophenyl)pyrrole-3-sulfonamide
CID 106002438
5-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methylpyrrole-3-sulfonamide
CID 106077299
3-amino-4-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
CID 115329072
5-(aminomethyl)-N-(4-bromo-2-ethylphenyl)-1-methylpyrrole-3-sulfonamide
CID 106073387
3-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
CID 3749257
N-[(2-bromophenyl)methyl]naphthalene-2-sulfonamide
CID 3742341
5-(aminomethyl)-1-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrrole-3-sulfonamide
CID 102915873
N-[(2-bromophenyl)methyl]-4-(methylaminomethyl)benzenesulfonamide
CID 61414020
2-(aminomethyl)-N-[(2-bromophenyl)methyl]-5-fluorobenzenesulfonamide
CID 106051903
2-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
CID 25146907

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[(2-bromophenyl)methyl]-1-methylpyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-[(2-bromophenyl)methyl]-1-methylpyrrole-3-sulfonamide (CID 106051880) is 5-(aminomethyl)-N-[(2-bromophenyl)methyl]-1-methylpyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-[(2-bromophenyl)methyl]-1-methylpyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-[(2-bromophenyl)methyl]-1-methylpyrrole-3-sulfonamide is Cn1cc(S(=O)(=O)NCc2ccccc2Br)cc1CN.
What is the InChIKey of 5-(aminomethyl)-N-[(2-bromophenyl)methyl]-1-methylpyrrole-3-sulfonamide?
The InChIKey is ZSCLPGGLWCZNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O2S/c1-17-9-12(6-11(17)7-15)20(18,19)16-8-10-4-2-3-5-13(10)14/h2-6,9,16H,7-8,15H2,1H3.
What are the key properties of 5-(aminomethyl)-N-[(2-bromophenyl)methyl]-1-methylpyrrole-3-sulfonamide?
5-(aminomethyl)-N-[(2-bromophenyl)methyl]-1-methylpyrrole-3-sulfonamide has a molecular weight of 358.26 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[(2-bromophenyl)methyl]-1-methylpyrrole-3-sulfonamide is sourced from PubChem (CID 106051880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).