3-acetyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide

C14H16N2O3S — CID 110789489

IUPAC3-acetyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCCc2cc[nH]c2)c1
InChIInChI=1S/C14H16N2O3S/c1-11(17)13-3-2-4-14(9-13)20(18,19)16-8-6-12-5-7-15-10-12/h2-5,7,9-10,15-16H,6,8H2,1H3
InChIKeyXXFBGBNLLVNKJF-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.74
Rot. Bonds6

About 3-acetyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide

3-acetyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide (PubChem CID 110789489) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 3-acetyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide
PubChem CID110789489
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name3-acetyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCCc2cc[nH]c2)c1
InChIInChI=1S/C14H16N2O3S/c1-11(17)13-3-2-4-14(9-13)20(18,19)16-8-6-12-5-7-15-10-12/h2-5,7,9-10,15-16H,6,8H2,1H3
InChIKeyXXFBGBNLLVNKJF-UHFFFAOYSA-N
XLogP1.74
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetyl-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 110787259
3-acetyl-N-[2-(3,4-dimethylphenyl)ethyl]benzenesulfonamide
CID 110787294
3-acetyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43420736
4-[2-(1H-pyrrol-3-yl)ethylsulfamoyl]benzoic acid
CID 110789467
3-acetyl-N-(2-aminoethyl)benzenesulfonamide;hydrochloride
CID 119960312
3-acetyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 43501553
3-acetyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 110666629
3-acetyl-N-[2-(1,3-benzoxazol-6-yl)ethyl]benzenesulfonamide
CID 110791033
3-acetyl-N-[2-(2,4-dimethylphenyl)ethyl]benzenesulfonamide
CID 48629818
3-acetyl-N-[2-(1,3-benzoxazol-5-yl)ethyl]benzenesulfonamide
CID 110707458
3-acetyl-N-(2-ethoxyethyl)benzenesulfonamide
CID 43591526
3-acetyl-N-(4-methylsulfanylbutyl)benzenesulfonamide
CID 115638737

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-acetyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide (CID 110789489) is 3-acetyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)NCCc2cc[nH]c2)c1.
What is the InChIKey of 3-acetyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is XXFBGBNLLVNKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-11(17)13-3-2-4-14(9-13)20(18,19)16-8-6-12-5-7-15-10-12/h2-5,7,9-10,15-16H,6,8H2,1H3.
What are the key properties of 3-acetyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide?
3-acetyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110789489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).