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

C11H13N3O4S2 — CID 11267031

IUPACN-[3-(1H-imidazol-5-ylsulfonyl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(S(=O)(=O)c2cnc[nH]2)c1
InChIInChI=1S/C11H13N3O4S2/c1-2-19(15,16)14-9-4-3-5-10(6-9)20(17,18)11-7-12-8-13-11/h3-8,14H,2H2,1H3,(H,12,13)
InChIKeyNBKLEGRCBQUKCX-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.00
Rot. Bonds5

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

N-[3-(1H-imidazol-5-ylsulfonyl)phenyl]ethanesulfonamide (PubChem CID 11267031) has the molecular formula C11H13N3O4S2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-[3-(1H-imidazol-5-ylsulfonyl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(1H-imidazol-5-ylsulfonyl)phenyl]ethanesulfonamide
PubChem CID11267031
Molecular FormulaC11H13N3O4S2
Molecular Weight315.38 g/mol
Exact Mass315.03
IUPAC NameN-[3-(1H-imidazol-5-ylsulfonyl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(S(=O)(=O)c2cnc[nH]2)c1
InChIInChI=1S/C11H13N3O4S2/c1-2-19(15,16)14-9-4-3-5-10(6-9)20(17,18)11-7-12-8-13-11/h3-8,14H,2H2,1H3,(H,12,13)
InChIKeyNBKLEGRCBQUKCX-UHFFFAOYSA-N
XLogP1.00
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-imidazol-5-ylsulfonyl)phenyl]ethanesulfonamide?
The IUPAC name of N-[3-(1H-imidazol-5-ylsulfonyl)phenyl]ethanesulfonamide (CID 11267031) is N-[3-(1H-imidazol-5-ylsulfonyl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[3-(1H-imidazol-5-ylsulfonyl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[3-(1H-imidazol-5-ylsulfonyl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1cccc(S(=O)(=O)c2cnc[nH]2)c1.
What is the InChIKey of N-[3-(1H-imidazol-5-ylsulfonyl)phenyl]ethanesulfonamide?
The InChIKey is NBKLEGRCBQUKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4S2/c1-2-19(15,16)14-9-4-3-5-10(6-9)20(17,18)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-ylsulfonyl)phenyl]ethanesulfonamide?
N-[3-(1H-imidazol-5-ylsulfonyl)phenyl]ethanesulfonamide has a molecular weight of 315.38 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-imidazol-5-ylsulfonyl)phenyl]ethanesulfonamide is sourced from PubChem (CID 11267031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).