5-(aminomethyl)-N-(4-methoxy-3-methylphenyl)-1-methylpyrrole-3-sulfonamide

C14H19N3O3S — CID 106053271

IUPAC5-(aminomethyl)-N-(4-methoxy-3-methylphenyl)-1-methylpyrrole-3-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(CN)n(C)c2)cc1C
InChIInChI=1S/C14H19N3O3S/c1-10-6-11(4-5-14(10)20-3)16-21(18,19)13-7-12(8-15)17(2)9-13/h4-7,9,16H,8,15H2,1-3H3
InChIKeyMZYXYEMKQAHVAU-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.60
Rot. Bonds5

About 5-(aminomethyl)-N-(4-methoxy-3-methylphenyl)-1-methylpyrrole-3-sulfonamide

5-(aminomethyl)-N-(4-methoxy-3-methylphenyl)-1-methylpyrrole-3-sulfonamide (PubChem CID 106053271) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(4-methoxy-3-methylphenyl)-1-methylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(4-methoxy-3-methylphenyl)-1-methylpyrrole-3-sulfonamide
PubChem CID106053271
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name5-(aminomethyl)-N-(4-methoxy-3-methylphenyl)-1-methylpyrrole-3-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(CN)n(C)c2)cc1C
InChIInChI=1S/C14H19N3O3S/c1-10-6-11(4-5-14(10)20-3)16-21(18,19)13-7-12(8-15)17(2)9-13/h4-7,9,16H,8,15H2,1-3H3
InChIKeyMZYXYEMKQAHVAU-UHFFFAOYSA-N
XLogP1.60
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-4-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 39439923
5-(aminomethyl)-1-ethyl-N-(4-fluoro-3-methylphenyl)pyrrole-3-sulfonamide
CID 106056111
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)-1-methyl-N-(2,4,6-tribromophenyl)pyrrole-3-sulfonamide
CID 106002438
5-(aminomethyl)-N-(3-chloro-2-methylphenyl)-1-methylpyrrole-3-sulfonamide
CID 106057318
4-methoxy-3-methyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 126126840
N-(3,4-dimethylphenyl)-3-ethyl-4-methoxybenzenesulfonamide
CID 53289163
N-(4-methoxy-3-methylphenyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106053269
N-(3-amino-4-methoxyphenyl)-1-methylpyrrole-3-sulfonamide
CID 43604632
5-(aminomethyl)-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-3-sulfonamide
CID 106081058
5-(aminomethyl)-N-(4-bromo-2-ethylphenyl)-1-methylpyrrole-3-sulfonamide
CID 106073387

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(4-methoxy-3-methylphenyl)-1-methylpyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(4-methoxy-3-methylphenyl)-1-methylpyrrole-3-sulfonamide (CID 106053271) is 5-(aminomethyl)-N-(4-methoxy-3-methylphenyl)-1-methylpyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(4-methoxy-3-methylphenyl)-1-methylpyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(4-methoxy-3-methylphenyl)-1-methylpyrrole-3-sulfonamide is COc1ccc(NS(=O)(=O)c2cc(CN)n(C)c2)cc1C.
What is the InChIKey of 5-(aminomethyl)-N-(4-methoxy-3-methylphenyl)-1-methylpyrrole-3-sulfonamide?
The InChIKey is MZYXYEMKQAHVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-10-6-11(4-5-14(10)20-3)16-21(18,19)13-7-12(8-15)17(2)9-13/h4-7,9,16H,8,15H2,1-3H3.
What are the key properties of 5-(aminomethyl)-N-(4-methoxy-3-methylphenyl)-1-methylpyrrole-3-sulfonamide?
5-(aminomethyl)-N-(4-methoxy-3-methylphenyl)-1-methylpyrrole-3-sulfonamide has a molecular weight of 309.39 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(4-methoxy-3-methylphenyl)-1-methylpyrrole-3-sulfonamide is sourced from PubChem (CID 106053271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).