N-[[2-(aminomethyl)phenyl]methyl]-1H-pyrrole-3-sulfonamide

C12H15N3O2S — CID 55157164

IUPACN-[[2-(aminomethyl)phenyl]methyl]-1H-pyrrole-3-sulfonamide
SMILESNCc1ccccc1CNS(=O)(=O)c1cc[nH]c1
InChIInChI=1S/C12H15N3O2S/c13-7-10-3-1-2-4-11(10)8-15-18(16,17)12-5-6-14-9-12/h1-6,9,14-15H,7-8,13H2
InChIKeyMVWIMELFPCDGOB-UHFFFAOYSA-N
MW265.34 g/mol
LogP0.95
Rot. Bonds5

About N-[[2-(aminomethyl)phenyl]methyl]-1H-pyrrole-3-sulfonamide

N-[[2-(aminomethyl)phenyl]methyl]-1H-pyrrole-3-sulfonamide (PubChem CID 55157164) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-1H-pyrrole-3-sulfonamide
PubChem CID55157164
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-1H-pyrrole-3-sulfonamide
SMILESNCc1ccccc1CNS(=O)(=O)c1cc[nH]c1
InChIInChI=1S/C12H15N3O2S/c13-7-10-3-1-2-4-11(10)8-15-18(16,17)12-5-6-14-9-12/h1-6,9,14-15H,7-8,13H2
InChIKeyMVWIMELFPCDGOB-UHFFFAOYSA-N
XLogP0.95
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(aminomethyl)phenyl]methyl]methanesulfonamide
CID 62949532
N-[[2-(aminomethyl)phenyl]methyl]-4-bromo-3-fluorobenzenesulfonamide
CID 103828953
N-(2-hydroxyethyl)-1H-pyrrole-3-sulfonamide
CID 43501955
N-[[2-(aminomethyl)phenyl]methyl]-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106315234
N-[[2-(aminomethyl)phenyl]methyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103951424
N-[(2-hydroxyphenyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 114332748
5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-1H-pyrrole-3-sulfonamide
CID 106058647
N-[(2-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 43629113
N-[[2-(aminomethyl)phenyl]methyl]-2,5-dibromobenzenesulfonamide
CID 62949723
N-[[2-(aminomethyl)phenyl]methyl]-4-bromo-2-chlorobenzenesulfonamide
CID 62949907
N-(3-ethyl-2-hydroxypentyl)-1H-pyrrole-3-sulfonamide
CID 106288400
N-[[2-(aminomethyl)phenyl]methyl]-1-cyclopropylmethanesulfonamide
CID 64989311

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-1H-pyrrole-3-sulfonamide (CID 55157164) is N-[[2-(aminomethyl)phenyl]methyl]-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-1H-pyrrole-3-sulfonamide is NCc1ccccc1CNS(=O)(=O)c1cc[nH]c1.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-1H-pyrrole-3-sulfonamide?
The InChIKey is MVWIMELFPCDGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c13-7-10-3-1-2-4-11(10)8-15-18(16,17)12-5-6-14-9-12/h1-6,9,14-15H,7-8,13H2.
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-1H-pyrrole-3-sulfonamide?
N-[[2-(aminomethyl)phenyl]methyl]-1H-pyrrole-3-sulfonamide has a molecular weight of 265.34 g/mol, XLogP of 0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 55157164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).