N-(2-ethylsulfonylphenyl)pyrrol-1-amine

C12H14N2O2S — CID 79106671

IUPACN-(2-ethylsulfonylphenyl)pyrrol-1-amine
SMILESCCS(=O)(=O)c1ccccc1Nn1cccc1
InChIInChI=1S/C12H14N2O2S/c1-2-17(15,16)12-8-4-3-7-11(12)13-14-9-5-6-10-14/h3-10,13H,2H2,1H3
InChIKeyNPTBTXWORFEZBR-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.16
Rot. Bonds4

About N-(2-ethylsulfonylphenyl)pyrrol-1-amine

N-(2-ethylsulfonylphenyl)pyrrol-1-amine (PubChem CID 79106671) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is N-(2-ethylsulfonylphenyl)pyrrol-1-amine.

Molecular Properties

Compound NameN-(2-ethylsulfonylphenyl)pyrrol-1-amine
PubChem CID79106671
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC NameN-(2-ethylsulfonylphenyl)pyrrol-1-amine
SMILESCCS(=O)(=O)c1ccccc1Nn1cccc1
InChIInChI=1S/C12H14N2O2S/c1-2-17(15,16)12-8-4-3-7-11(12)13-14-9-5-6-10-14/h3-10,13H,2H2,1H3
InChIKeyNPTBTXWORFEZBR-UHFFFAOYSA-N
XLogP2.16
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(3,3-dimethylbutyl)-2-ethylsulfonylaniline
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2-ethylsulfonyl-N-(3-methylbutan-2-yl)aniline
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2-(2-ethylsulfonylanilino)-2-methylpropan-1-ol
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CID 43738191
2-ethylsulfonyl-N-[2-(1-methylpyrazol-3-yl)ethyl]aniline
CID 102846547
N-[(5-bromofuran-2-yl)methyl]-2-ethylsulfonylaniline
CID 43738181
2-(2-ethylsulfonylanilino)-2-methylpropanamide
CID 61220775
N-(2-ethylsulfonylphenyl)cycloheptanamine
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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylphenyl)pyrrol-1-amine?
The IUPAC name of N-(2-ethylsulfonylphenyl)pyrrol-1-amine (CID 79106671) is N-(2-ethylsulfonylphenyl)pyrrol-1-amine.
What is the SMILES notation for N-(2-ethylsulfonylphenyl)pyrrol-1-amine?
The canonical SMILES for N-(2-ethylsulfonylphenyl)pyrrol-1-amine is CCS(=O)(=O)c1ccccc1Nn1cccc1.
What is the InChIKey of N-(2-ethylsulfonylphenyl)pyrrol-1-amine?
The InChIKey is NPTBTXWORFEZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-2-17(15,16)12-8-4-3-7-11(12)13-14-9-5-6-10-14/h3-10,13H,2H2,1H3.
What are the key properties of N-(2-ethylsulfonylphenyl)pyrrol-1-amine?
N-(2-ethylsulfonylphenyl)pyrrol-1-amine has a molecular weight of 250.32 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylphenyl)pyrrol-1-amine is sourced from PubChem (CID 79106671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).