3-methyl-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylaniline

C15H19N3O2S — CID 61116191

IUPAC3-methyl-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylaniline
SMILESCc1cccc(N)c1S(=O)(=O)N1CCCC1c1ccc[nH]1
InChIInChI=1S/C15H19N3O2S/c1-11-5-2-6-12(16)15(11)21(19,20)18-10-4-8-14(18)13-7-3-9-17-13/h2-3,5-7,9,14,17H,4,8,10,16H2,1H3
InChIKeyZOXQEPWSTVAEIB-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.43
Rot. Bonds3

About 3-methyl-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylaniline

3-methyl-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylaniline (PubChem CID 61116191) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-methyl-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylaniline.

Molecular Properties

Compound Name3-methyl-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylaniline
PubChem CID61116191
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name3-methyl-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylaniline
SMILESCc1cccc(N)c1S(=O)(=O)N1CCCC1c1ccc[nH]1
InChIInChI=1S/C15H19N3O2S/c1-11-5-2-6-12(16)15(11)21(19,20)18-10-4-8-14(18)13-7-3-9-17-13/h2-3,5-7,9,14,17H,4,8,10,16H2,1H3
InChIKeyZOXQEPWSTVAEIB-UHFFFAOYSA-N
XLogP2.43
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(benzenesulfonyl)-5-butylpyrrol-3-yl]-N-methylmethanamine
CID 66925027
2-methyl-N-[[5-(2-pyrrolidin-1-ylsulfonylphenyl)-2-pyridinyl]methyl]propan-1-amine
CID 53465557
2-methyl-N-[[6-(2-pyrrolidin-1-ylsulfonylphenyl)-3-pyridinyl]methyl]propan-1-amine
CID 53465560
4-(2-((1H-pyrrol-2-yl)methyleneamino)ethyl)benzenesulfonamide
CID 136118030
N-(2-amino-2-phenylethyl)-1-methyl-1H-pyrrole-3-sulfonamide
CID 43605633
5-fluoro-N-[(3R)-1-(1H-indol-4-ylmethyl)pyrrolidin-3-yl]-2-methylbenzenesulfonamide
CID 25036690
N-[3-[1-(benzenesulfonyl)pyrrol-2-yl]phenyl]piperidin-4-amine
CID 177378668
N-[3-[1-(benzenesulfonyl)pyrrol-2-yl]phenyl]-1-methylpiperidin-4-amine
CID 177378670
1-[3-[1-(Benzenesulfonyl)pyrrol-2-yl]phenyl]piperazine
CID 177378671
(3R)-N-[3-(2-phenylpyrrol-1-yl)sulfonylphenyl]pyrrolidin-3-amine
CID 177378675
(3S)-N-[3-(2-phenylpyrrol-1-yl)sulfonylphenyl]pyrrolidin-3-amine
CID 177378676
4-methyl-N-[2-(1H-pyrrol-2-ylmethylideneamino)phenyl]benzenesulfonamide
CID 2250799

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylaniline?
The IUPAC name of 3-methyl-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylaniline (CID 61116191) is 3-methyl-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylaniline.
What is the SMILES notation for 3-methyl-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylaniline?
The canonical SMILES for 3-methyl-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylaniline is Cc1cccc(N)c1S(=O)(=O)N1CCCC1c1ccc[nH]1.
What is the InChIKey of 3-methyl-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylaniline?
The InChIKey is ZOXQEPWSTVAEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-11-5-2-6-12(16)15(11)21(19,20)18-10-4-8-14(18)13-7-3-9-17-13/h2-3,5-7,9,14,17H,4,8,10,16H2,1H3.
What are the key properties of 3-methyl-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylaniline?
3-methyl-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylaniline has a molecular weight of 305.40 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylaniline is sourced from PubChem (CID 61116191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).