4-[1-(pyrrol-1-ylamino)ethyl]benzenesulfonamide

C12H15N3O2S — CID 79090299

IUPAC4-[1-(pyrrol-1-ylamino)ethyl]benzenesulfonamide
SMILESCC(Nn1cccc1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H15N3O2S/c1-10(14-15-8-2-3-9-15)11-4-6-12(7-5-11)18(13,16)17/h2-10,14H,1H3,(H2,13,16,17)
InChIKeyXGXDYJPQXHYZKJ-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.44
Rot. Bonds4

About 4-[1-(pyrrol-1-ylamino)ethyl]benzenesulfonamide

4-[1-(pyrrol-1-ylamino)ethyl]benzenesulfonamide (PubChem CID 79090299) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 4-[1-(pyrrol-1-ylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-(pyrrol-1-ylamino)ethyl]benzenesulfonamide
PubChem CID79090299
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name4-[1-(pyrrol-1-ylamino)ethyl]benzenesulfonamide
SMILESCC(Nn1cccc1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H15N3O2S/c1-10(14-15-8-2-3-9-15)11-4-6-12(7-5-11)18(13,16)17/h2-10,14H,1H3,(H2,13,16,17)
InChIKeyXGXDYJPQXHYZKJ-UHFFFAOYSA-N
XLogP1.44
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(sulfamoylamino)ethyl]benzenesulfonamide
CID 112684101
potassium 4-propan-2-ylbenzenesulfonamide
CID 19095755
4-[1-(difluoromethylsulfonylamino)ethyl]benzenesulfonamide
CID 43134164
4-[1-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 43426324
4-[1-[2-(dimethylamino)ethylamino]ethyl]benzenesulfonamide
CID 43754787
3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43702371
4-[1-(2-iodoanilino)ethyl]benzenesulfonamide
CID 43773421
1-propan-2-yl-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea
CID 25362862
4-[1-[(2-methylcyclopropyl)amino]ethyl]benzenesulfonamide
CID 62396330
4-[1-(3-aminopropylamino)ethyl]benzenesulfonamide
CID 60890115
4-[1-(cyclopropylsulfonylamino)ethyl]benzenesulfonamide
CID 64555165
4-[1-(1-methoxypropan-2-ylamino)ethyl]benzenesulfonamide
CID 43758356

Frequently Asked Questions

What is the IUPAC name of 4-[1-(pyrrol-1-ylamino)ethyl]benzenesulfonamide?
The IUPAC name of 4-[1-(pyrrol-1-ylamino)ethyl]benzenesulfonamide (CID 79090299) is 4-[1-(pyrrol-1-ylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[1-(pyrrol-1-ylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-[1-(pyrrol-1-ylamino)ethyl]benzenesulfonamide is CC(Nn1cccc1)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[1-(pyrrol-1-ylamino)ethyl]benzenesulfonamide?
The InChIKey is XGXDYJPQXHYZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-10(14-15-8-2-3-9-15)11-4-6-12(7-5-11)18(13,16)17/h2-10,14H,1H3,(H2,13,16,17).
What are the key properties of 4-[1-(pyrrol-1-ylamino)ethyl]benzenesulfonamide?
4-[1-(pyrrol-1-ylamino)ethyl]benzenesulfonamide has a molecular weight of 265.34 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(pyrrol-1-ylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 79090299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).