5-(aminomethyl)-N-(3-chloro-2-methylphenyl)-1-methylpyrrole-3-sulfonamide

C13H16ClN3O2S — CID 106057318

IUPAC5-(aminomethyl)-N-(3-chloro-2-methylphenyl)-1-methylpyrrole-3-sulfonamide
SMILESCc1c(Cl)cccc1NS(=O)(=O)c1cc(CN)n(C)c1
InChIInChI=1S/C13H16ClN3O2S/c1-9-12(14)4-3-5-13(9)16-20(18,19)11-6-10(7-15)17(2)8-11/h3-6,8,16H,7,15H2,1-2H3
InChIKeyWRXKYMVMRUCTEO-UHFFFAOYSA-N
MW313.81 g/mol
LogP2.25
Rot. Bonds4

About 5-(aminomethyl)-N-(3-chloro-2-methylphenyl)-1-methylpyrrole-3-sulfonamide

5-(aminomethyl)-N-(3-chloro-2-methylphenyl)-1-methylpyrrole-3-sulfonamide (PubChem CID 106057318) has the molecular formula C13H16ClN3O2S and a molecular weight of 313.81 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(3-chloro-2-methylphenyl)-1-methylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(3-chloro-2-methylphenyl)-1-methylpyrrole-3-sulfonamide
PubChem CID106057318
Molecular FormulaC13H16ClN3O2S
Molecular Weight313.81 g/mol
Exact Mass313.07
IUPAC Name5-(aminomethyl)-N-(3-chloro-2-methylphenyl)-1-methylpyrrole-3-sulfonamide
SMILESCc1c(Cl)cccc1NS(=O)(=O)c1cc(CN)n(C)c1
InChIInChI=1S/C13H16ClN3O2S/c1-9-12(14)4-3-5-13(9)16-20(18,19)11-6-10(7-15)17(2)8-11/h3-6,8,16H,7,15H2,1-2H3
InChIKeyWRXKYMVMRUCTEO-UHFFFAOYSA-N
XLogP2.25
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.81
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-1-methyl-N-(2-methyl-3-pyridinyl)pyrrole-3-sulfonamide
CID 106070192
5-(aminomethyl)-N-(2-fluoro-6-methylphenyl)-1-methylpyrrole-3-sulfonamide
CID 106083691
5-(aminomethyl)-1-methyl-N-(6-methyl-2-pyridinyl)pyrrole-3-sulfonamide
CID 106086845
3-(aminomethyl)-N-(3-chloro-2-methylphenyl)-4-fluorobenzenesulfonamide
CID 28717015
3-amino-N-(3-chloro-2-methylphenyl)benzenesulfonamide
CID 18070649
5-(aminomethyl)-N-(4-bromo-2-ethylphenyl)-1-methylpyrrole-3-sulfonamide
CID 106073387
N-(3-chloro-2-methylphenyl)-3-cyanobenzenesulfonamide
CID 7938773
N-(3-chloro-2-methylphenyl)-3-(hydroxymethyl)benzenesulfonamide
CID 107318048
5-(aminomethyl)-N-(3-chloro-2-methylphenyl)-2-methylfuran-3-sulfonamide
CID 106057339
N-(3-chloro-2-methylphenyl)-4-fluorobenzenesulfonamide
CID 711089
5-(aminomethyl)-1-methyl-N-(2,4,6-tribromophenyl)pyrrole-3-sulfonamide
CID 106002438
6-amino-5-chloro-N-(3-chloro-2-methylphenyl)pyridine-3-sulfonamide
CID 64606596

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(3-chloro-2-methylphenyl)-1-methylpyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(3-chloro-2-methylphenyl)-1-methylpyrrole-3-sulfonamide (CID 106057318) is 5-(aminomethyl)-N-(3-chloro-2-methylphenyl)-1-methylpyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(3-chloro-2-methylphenyl)-1-methylpyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(3-chloro-2-methylphenyl)-1-methylpyrrole-3-sulfonamide is Cc1c(Cl)cccc1NS(=O)(=O)c1cc(CN)n(C)c1.
What is the InChIKey of 5-(aminomethyl)-N-(3-chloro-2-methylphenyl)-1-methylpyrrole-3-sulfonamide?
The InChIKey is WRXKYMVMRUCTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2S/c1-9-12(14)4-3-5-13(9)16-20(18,19)11-6-10(7-15)17(2)8-11/h3-6,8,16H,7,15H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-(3-chloro-2-methylphenyl)-1-methylpyrrole-3-sulfonamide?
5-(aminomethyl)-N-(3-chloro-2-methylphenyl)-1-methylpyrrole-3-sulfonamide has a molecular weight of 313.81 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(3-chloro-2-methylphenyl)-1-methylpyrrole-3-sulfonamide is sourced from PubChem (CID 106057318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).