N-[(1-ethylpyrrol-3-yl)methyl]-2-ethylsulfonylaniline

C15H20N2O2S — CID 66416123

IUPACN-[(1-ethylpyrrol-3-yl)methyl]-2-ethylsulfonylaniline
SMILESCCn1ccc(CNc2ccccc2S(=O)(=O)CC)c1
InChIInChI=1S/C15H20N2O2S/c1-3-17-10-9-13(12-17)11-16-14-7-5-6-8-15(14)20(18,19)4-2/h5-10,12,16H,3-4,11H2,1-2H3
InChIKeyAZMJMHKFOHDXGD-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.91
Rot. Bonds6

About N-[(1-ethylpyrrol-3-yl)methyl]-2-ethylsulfonylaniline

N-[(1-ethylpyrrol-3-yl)methyl]-2-ethylsulfonylaniline (PubChem CID 66416123) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[(1-ethylpyrrol-3-yl)methyl]-2-ethylsulfonylaniline.

Molecular Properties

Compound NameN-[(1-ethylpyrrol-3-yl)methyl]-2-ethylsulfonylaniline
PubChem CID66416123
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-[(1-ethylpyrrol-3-yl)methyl]-2-ethylsulfonylaniline
SMILESCCn1ccc(CNc2ccccc2S(=O)(=O)CC)c1
InChIInChI=1S/C15H20N2O2S/c1-3-17-10-9-13(12-17)11-16-14-7-5-6-8-15(14)20(18,19)4-2/h5-10,12,16H,3-4,11H2,1-2H3
InChIKeyAZMJMHKFOHDXGD-UHFFFAOYSA-N
XLogP2.91
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylpyrrol-3-yl)methyl]-2-iodoaniline
CID 66398837
2-ethylsulfonyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 43738150
ethyl 2-[(1-ethylpyrrol-3-yl)methylamino]benzoate
CID 66397344
N-[2-[(1-propylpyrrol-3-yl)methylamino]phenyl]methanesulfonamide
CID 66414174
2-ethylsulfonyl-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103571450
2-ethylsulfonyl-N-[(4-methylsulfinylphenyl)methyl]aniline
CID 102562312
5-[(1-ethylpyrrol-3-yl)methylamino]naphthalen-1-ol
CID 66416710
N-[(1-ethylpyrrol-3-yl)methyl]-2-piperidin-1-ylaniline
CID 66400281
N-[(2,6-dichlorophenyl)methyl]-2-ethylsulfonylaniline
CID 43738191
3-[(1-ethylpyrrol-3-yl)methylamino]-4-methylbenzenesulfonamide
CID 66414175
N-[(2-ethylpyrazol-3-yl)methyl]-2-ethylsulfonylaniline
CID 114555359
N-(2-ethylsulfonylphenyl)pyrrol-1-amine
CID 79106671

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrol-3-yl)methyl]-2-ethylsulfonylaniline?
The IUPAC name of N-[(1-ethylpyrrol-3-yl)methyl]-2-ethylsulfonylaniline (CID 66416123) is N-[(1-ethylpyrrol-3-yl)methyl]-2-ethylsulfonylaniline.
What is the SMILES notation for N-[(1-ethylpyrrol-3-yl)methyl]-2-ethylsulfonylaniline?
The canonical SMILES for N-[(1-ethylpyrrol-3-yl)methyl]-2-ethylsulfonylaniline is CCn1ccc(CNc2ccccc2S(=O)(=O)CC)c1.
What is the InChIKey of N-[(1-ethylpyrrol-3-yl)methyl]-2-ethylsulfonylaniline?
The InChIKey is AZMJMHKFOHDXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-3-17-10-9-13(12-17)11-16-14-7-5-6-8-15(14)20(18,19)4-2/h5-10,12,16H,3-4,11H2,1-2H3.
What are the key properties of N-[(1-ethylpyrrol-3-yl)methyl]-2-ethylsulfonylaniline?
N-[(1-ethylpyrrol-3-yl)methyl]-2-ethylsulfonylaniline has a molecular weight of 292.40 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrol-3-yl)methyl]-2-ethylsulfonylaniline is sourced from PubChem (CID 66416123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).