4-ethyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide

C15H20N2O2S — CID 110789250

IUPAC4-ethyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCc2ccn(C)c2)cc1
InChIInChI=1S/C15H20N2O2S/c1-3-13-4-6-15(7-5-13)20(18,19)16-10-8-14-9-11-17(2)12-14/h4-7,9,11-12,16H,3,8,10H2,1-2H3
InChIKeyPTYHARCIAKLUKS-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.11
Rot. Bonds6

About 4-ethyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide

4-ethyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide (PubChem CID 110789250) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 4-ethyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide
PubChem CID110789250
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name4-ethyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCc2ccn(C)c2)cc1
InChIInChI=1S/C15H20N2O2S/c1-3-13-4-6-15(7-5-13)20(18,19)16-10-8-14-9-11-17(2)12-14/h4-7,9,11-12,16H,3,8,10H2,1-2H3
InChIKeyPTYHARCIAKLUKS-UHFFFAOYSA-N
XLogP2.11
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789246
4-acetyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789307
4-chloro-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 3749780
N-[2-(1-methylpyrrol-3-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110789291
N-(2-aminoethyl)-4-ethylbenzenesulfonamide
CID 28753957
1-(4-chlorophenyl)-N-[2-(1-methylpyrrol-3-yl)ethyl]methanesulfonamide
CID 110789278
2,4-dimethyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789248
1-(4-methylphenyl)sulfonyl-3-[2-(1-methylpyrrol-3-yl)ethyl]urea
CID 110775896
4-ethyl-N-hexylbenzenesulfonamide
CID 19681236
4-ethyl-N-(2-nitrosoethyl)benzenesulfonamide
CID 90392756
N-(3-aminopropyl)-4-ethylbenzenesulfonamide
CID 28754062
3,4-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide
CID 110782569

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide (CID 110789250) is 4-ethyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide is CCc1ccc(S(=O)(=O)NCCc2ccn(C)c2)cc1.
What is the InChIKey of 4-ethyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is PTYHARCIAKLUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-3-13-4-6-15(7-5-13)20(18,19)16-10-8-14-9-11-17(2)12-14/h4-7,9,11-12,16H,3,8,10H2,1-2H3.
What are the key properties of 4-ethyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide?
4-ethyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 292.40 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110789250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).