N-[1-(4-aminophenyl)ethyl]-1-methylpyrrole-3-sulfonamide

C13H17N3O2S — CID 116650244

IUPACN-[1-(4-aminophenyl)ethyl]-1-methylpyrrole-3-sulfonamide
SMILESCC(NS(=O)(=O)c1ccn(C)c1)c1ccc(N)cc1
InChIInChI=1S/C13H17N3O2S/c1-10(11-3-5-12(14)6-4-11)15-19(17,18)13-7-8-16(2)9-13/h3-10,15H,14H2,1-2H3
InChIKeyYTWUSCQTMXKTGW-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.65
Rot. Bonds4

About N-[1-(4-aminophenyl)ethyl]-1-methylpyrrole-3-sulfonamide

N-[1-(4-aminophenyl)ethyl]-1-methylpyrrole-3-sulfonamide (PubChem CID 116650244) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-[1-(4-aminophenyl)ethyl]-1-methylpyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-aminophenyl)ethyl]-1-methylpyrrole-3-sulfonamide
PubChem CID116650244
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-[1-(4-aminophenyl)ethyl]-1-methylpyrrole-3-sulfonamide
SMILESCC(NS(=O)(=O)c1ccn(C)c1)c1ccc(N)cc1
InChIInChI=1S/C13H17N3O2S/c1-10(11-3-5-12(14)6-4-11)15-19(17,18)13-7-8-16(2)9-13/h3-10,15H,14H2,1-2H3
InChIKeyYTWUSCQTMXKTGW-UHFFFAOYSA-N
XLogP1.65
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-aminophenyl)ethyl]-3-fluorobenzenesulfonamide
CID 43297947
4-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]benzenesulfonamide
CID 86790597
4-amino-N-[1-(4-cyanophenyl)ethyl]benzenesulfonamide
CID 61125319
1-methylpyrrole-3-sulfonohydrazide
CID 82280503
3-amino-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 30079896
4-[1-(methylsulfamoylamino)ethyl]aniline
CID 114804323
3-amino-N-[1-(4-cyanophenyl)ethyl]benzenesulfonamide
CID 61125318
N-[1-(4-aminophenyl)ethyl]-6-cyanopyridine-3-sulfonamide
CID 114612845
N-(2-hydroxy-1-phenylethyl)-1-methylpyrrole-3-sulfonamide
CID 63182937
N-[1-(4-aminophenyl)ethyl]-5-bromothiophene-2-sulfonamide
CID 43297909
1-methyl-3-propan-2-ylsulfonylpyrrole
CID 130377708
4-amino-N-[1-(3-chlorophenyl)ethyl]benzenesulfonamide
CID 61106355

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminophenyl)ethyl]-1-methylpyrrole-3-sulfonamide?
The IUPAC name of N-[1-(4-aminophenyl)ethyl]-1-methylpyrrole-3-sulfonamide (CID 116650244) is N-[1-(4-aminophenyl)ethyl]-1-methylpyrrole-3-sulfonamide.
What is the SMILES notation for N-[1-(4-aminophenyl)ethyl]-1-methylpyrrole-3-sulfonamide?
The canonical SMILES for N-[1-(4-aminophenyl)ethyl]-1-methylpyrrole-3-sulfonamide is CC(NS(=O)(=O)c1ccn(C)c1)c1ccc(N)cc1.
What is the InChIKey of N-[1-(4-aminophenyl)ethyl]-1-methylpyrrole-3-sulfonamide?
The InChIKey is YTWUSCQTMXKTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-10(11-3-5-12(14)6-4-11)15-19(17,18)13-7-8-16(2)9-13/h3-10,15H,14H2,1-2H3.
What are the key properties of N-[1-(4-aminophenyl)ethyl]-1-methylpyrrole-3-sulfonamide?
N-[1-(4-aminophenyl)ethyl]-1-methylpyrrole-3-sulfonamide has a molecular weight of 279.37 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-aminophenyl)ethyl]-1-methylpyrrole-3-sulfonamide is sourced from PubChem (CID 116650244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).