N-[3-(1H-imidazol-5-ylsulfanyl)phenyl]ethanesulfonamide

C11H13N3O2S2 — CID 11369599

IUPACN-[3-(1H-imidazol-5-ylsulfanyl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(Sc2cnc[nH]2)c1
InChIInChI=1S/C11H13N3O2S2/c1-2-18(15,16)14-9-4-3-5-10(6-9)17-11-7-12-8-13-11/h3-8,14H,2H2,1H3,(H,12,13)
InChIKeyHZGSCIGEIICANA-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.32
Rot. Bonds5

About N-[3-(1H-imidazol-5-ylsulfanyl)phenyl]ethanesulfonamide

N-[3-(1H-imidazol-5-ylsulfanyl)phenyl]ethanesulfonamide (PubChem CID 11369599) has the molecular formula C11H13N3O2S2 and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[3-(1H-imidazol-5-ylsulfanyl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(1H-imidazol-5-ylsulfanyl)phenyl]ethanesulfonamide
PubChem CID11369599
Molecular FormulaC11H13N3O2S2
Molecular Weight283.38 g/mol
Exact Mass283.04
IUPAC NameN-[3-(1H-imidazol-5-ylsulfanyl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(Sc2cnc[nH]2)c1
InChIInChI=1S/C11H13N3O2S2/c1-2-18(15,16)14-9-4-3-5-10(6-9)17-11-7-12-8-13-11/h3-8,14H,2H2,1H3,(H,12,13)
InChIKeyHZGSCIGEIICANA-UHFFFAOYSA-N
XLogP2.32
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-imidazol-5-ylmethyl)-3-methylsulfonyl-N-propan-2-ylaniline
CID 59728210
N-(3-methylphenyl)-1H-imidazole-5-sulfonamide
CID 3658049
N-(1H-imidazol-5-ylmethyl)-2-methylsulfonylaniline
CID 44343251
1-methyl-N-[3-(methylsulfanyl)phenyl]-1H-imidazole-4-sulfonamide
CID 20958612
N-ethyl-N-phenyl-1H-imidazole-4-sulfonamide
CID 3237381
N~2~-(1H-imidazol-4-ylsulfonyl)-N~2~-methyl-N~1~-[3-(methylthio)phenyl]glycinamide
CID 6623244
N-[3-(1H-imidazol-5-ylsulfonyl)phenyl]ethanesulfonamide
CID 11267031
4-(benzenesulfonyl)-1H-imidazole
CID 71187744
1,2-Dimethyl-N-[3-(methylsulfanyl)phenyl]-1H-imidazole-4-sulfonamide
CID 16029211
2-((1H-imidazol-2-yl)thio)aniline
CID 13178254
N-phenyl-1H-imidazole-2-sulfonamide
CID 69402785
N-(2-fluorophenyl)-1H-imidazole-5-sulfonamide
CID 3398250

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-imidazol-5-ylsulfanyl)phenyl]ethanesulfonamide?
The IUPAC name of N-[3-(1H-imidazol-5-ylsulfanyl)phenyl]ethanesulfonamide (CID 11369599) is N-[3-(1H-imidazol-5-ylsulfanyl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[3-(1H-imidazol-5-ylsulfanyl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[3-(1H-imidazol-5-ylsulfanyl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1cccc(Sc2cnc[nH]2)c1.
What is the InChIKey of N-[3-(1H-imidazol-5-ylsulfanyl)phenyl]ethanesulfonamide?
The InChIKey is HZGSCIGEIICANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S2/c1-2-18(15,16)14-9-4-3-5-10(6-9)17-11-7-12-8-13-11/h3-8,14H,2H2,1H3,(H,12,13).
What are the key properties of N-[3-(1H-imidazol-5-ylsulfanyl)phenyl]ethanesulfonamide?
N-[3-(1H-imidazol-5-ylsulfanyl)phenyl]ethanesulfonamide has a molecular weight of 283.38 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-imidazol-5-ylsulfanyl)phenyl]ethanesulfonamide is sourced from PubChem (CID 11369599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).