N-(3-amino-4-methoxyphenyl)-1-methylpyrrole-3-sulfonamide

C12H15N3O3S — CID 43604632

IUPACN-(3-amino-4-methoxyphenyl)-1-methylpyrrole-3-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccn(C)c2)cc1N
InChIInChI=1S/C12H15N3O3S/c1-15-6-5-10(8-15)19(16,17)14-9-3-4-12(18-2)11(13)7-9/h3-8,14H,13H2,1-2H3
InChIKeyDNPLOIBKGYYWOX-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.42
Rot. Bonds4

About N-(3-amino-4-methoxyphenyl)-1-methylpyrrole-3-sulfonamide

N-(3-amino-4-methoxyphenyl)-1-methylpyrrole-3-sulfonamide (PubChem CID 43604632) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-1-methylpyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-1-methylpyrrole-3-sulfonamide
PubChem CID43604632
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC NameN-(3-amino-4-methoxyphenyl)-1-methylpyrrole-3-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccn(C)c2)cc1N
InChIInChI=1S/C12H15N3O3S/c1-15-6-5-10(8-15)19(16,17)14-9-3-4-12(18-2)11(13)7-9/h3-8,14H,13H2,1-2H3
InChIKeyDNPLOIBKGYYWOX-UHFFFAOYSA-N
XLogP1.42
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(3-amino-4-methoxyphenyl)-1-methylpyrrole-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-amino-3-methoxyphenyl)-1-methylpyrrole-3-sulfonamide
CID 43604994
N-(3-amino-4-methoxyphenyl)-4-bromobenzenesulfonamide
CID 43604638
N-(3-amino-4-methoxyphenyl)methanesulfonamide
CID 10560665
N-(3-amino-4-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 39439923
3-amino-N-(3-fluoro-4-methylphenyl)-4-methoxybenzenesulfonamide
CID 28536732
N-(3-amino-4-fluorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 43604875
3-amino-4-methoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 28528828
3-amino-N-(3-hydroxyphenyl)-4-methoxybenzenesulfonamide
CID 61168280
3-amino-4-methoxy-N-(3-nitrophenyl)benzenesulfonamide
CID 22759589
N-(3-aminophenyl)-3,4-dimethoxybenzenesulfonamide
CID 17217527
N-(3-amino-4-methoxyphenyl)-2,4-dibromobenzenesulfonamide
CID 60824367
3-amino-4-methoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584520

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-1-methylpyrrole-3-sulfonamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-1-methylpyrrole-3-sulfonamide (CID 43604632) is N-(3-amino-4-methoxyphenyl)-1-methylpyrrole-3-sulfonamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-1-methylpyrrole-3-sulfonamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-1-methylpyrrole-3-sulfonamide is COc1ccc(NS(=O)(=O)c2ccn(C)c2)cc1N.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-1-methylpyrrole-3-sulfonamide?
The InChIKey is DNPLOIBKGYYWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-15-6-5-10(8-15)19(16,17)14-9-3-4-12(18-2)11(13)7-9/h3-8,14H,13H2,1-2H3.
What are the key properties of N-(3-amino-4-methoxyphenyl)-1-methylpyrrole-3-sulfonamide?
N-(3-amino-4-methoxyphenyl)-1-methylpyrrole-3-sulfonamide has a molecular weight of 281.34 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-1-methylpyrrole-3-sulfonamide is sourced from PubChem (CID 43604632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).