N-[2-(1H-imidazol-5-yl)ethyl]-1-methylpyrrole-3-sulfonamide

C10H14N4O2S — CID 65231514

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-1-methylpyrrole-3-sulfonamide
SMILESCn1ccc(S(=O)(=O)NCCc2cnc[nH]2)c1
InChIInChI=1S/C10H14N4O2S/c1-14-5-3-10(7-14)17(15,16)13-4-2-9-6-11-8-12-9/h3,5-8,13H,2,4H2,1H3,(H,11,12)
InChIKeyDEKZVHPACDDWSE-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.27
Rot. Bonds5

About N-[2-(1H-imidazol-5-yl)ethyl]-1-methylpyrrole-3-sulfonamide

N-[2-(1H-imidazol-5-yl)ethyl]-1-methylpyrrole-3-sulfonamide (PubChem CID 65231514) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-1-methylpyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-1-methylpyrrole-3-sulfonamide
PubChem CID65231514
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-1-methylpyrrole-3-sulfonamide
SMILESCn1ccc(S(=O)(=O)NCCc2cnc[nH]2)c1
InChIInChI=1S/C10H14N4O2S/c1-14-5-3-10(7-14)17(15,16)13-4-2-9-6-11-8-12-9/h3,5-8,13H,2,4H2,1H3,(H,11,12)
InChIKeyDEKZVHPACDDWSE-UHFFFAOYSA-N
XLogP0.27
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-[2-(1H-imidazol-5-yl)ethyl]benzene-1,3-disulfonamide
CID 65231464
N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrazole-3-sulfonamide
CID 104710176
3-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 65231599
4-(aminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 65231853
N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 65231374
5-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-2-methoxybenzamide
CID 146024582
4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]benzamide
CID 65231463
3-amino-N-[2-(1H-imidazol-5-yl)ethyl]-5-methylbenzenesulfonamide
CID 65230879
N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1-propylimidazole-4-sulfonamide
CID 65231693
1-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]imidazole-4-sulfonamide
CID 79372698
4-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-3-nitrobenzenesulfonamide
CID 40559388
N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 65231692

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-1-methylpyrrole-3-sulfonamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-1-methylpyrrole-3-sulfonamide (CID 65231514) is N-[2-(1H-imidazol-5-yl)ethyl]-1-methylpyrrole-3-sulfonamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-1-methylpyrrole-3-sulfonamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-1-methylpyrrole-3-sulfonamide is Cn1ccc(S(=O)(=O)NCCc2cnc[nH]2)c1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-1-methylpyrrole-3-sulfonamide?
The InChIKey is DEKZVHPACDDWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c1-14-5-3-10(7-14)17(15,16)13-4-2-9-6-11-8-12-9/h3,5-8,13H,2,4H2,1H3,(H,11,12).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-1-methylpyrrole-3-sulfonamide?
N-[2-(1H-imidazol-5-yl)ethyl]-1-methylpyrrole-3-sulfonamide has a molecular weight of 254.31 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-1-methylpyrrole-3-sulfonamide is sourced from PubChem (CID 65231514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).