N-methyl-2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethanesulfonamide

C13H15N5O3S — CID 70711585

IUPACN-methyl-2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethanesulfonamide
SMILESCNS(=O)(=O)CCn1ccnc1-c1ccc(-c2ccn[nH]2)o1
InChIInChI=1S/C13H15N5O3S/c1-14-22(19,20)9-8-18-7-6-15-13(18)12-3-2-11(21-12)10-4-5-16-17-10/h2-7,14H,8-9H2,1H3,(H,16,17)
InChIKeyHXSGCNQPJKMTFP-UHFFFAOYSA-N
MW321.36 g/mol
LogP1.08
Rot. Bonds6

About N-methyl-2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethanesulfonamide

N-methyl-2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethanesulfonamide (PubChem CID 70711585) has the molecular formula C13H15N5O3S and a molecular weight of 321.36 g/mol. Its IUPAC name is N-methyl-2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethanesulfonamide
PubChem CID70711585
Molecular FormulaC13H15N5O3S
Molecular Weight321.36 g/mol
Exact Mass321.09
IUPAC NameN-methyl-2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethanesulfonamide
SMILESCNS(=O)(=O)CCn1ccnc1-c1ccc(-c2ccn[nH]2)o1
InChIInChI=1S/C13H15N5O3S/c1-14-22(19,20)9-8-18-7-6-15-13(18)12-3-2-11(21-12)10-4-5-16-17-10/h2-7,14H,8-9H2,1H3,(H,16,17)
InChIKeyHXSGCNQPJKMTFP-UHFFFAOYSA-N
XLogP1.08
TPSA105.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethanesulfonamide?
The IUPAC name of N-methyl-2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethanesulfonamide (CID 70711585) is N-methyl-2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethanesulfonamide.
What is the SMILES notation for N-methyl-2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethanesulfonamide?
The canonical SMILES for N-methyl-2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethanesulfonamide is CNS(=O)(=O)CCn1ccnc1-c1ccc(-c2ccn[nH]2)o1.
What is the InChIKey of N-methyl-2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethanesulfonamide?
The InChIKey is HXSGCNQPJKMTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3S/c1-14-22(19,20)9-8-18-7-6-15-13(18)12-3-2-11(21-12)10-4-5-16-17-10/h2-7,14H,8-9H2,1H3,(H,16,17).
What are the key properties of N-methyl-2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethanesulfonamide?
N-methyl-2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethanesulfonamide has a molecular weight of 321.36 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethanesulfonamide is sourced from PubChem (CID 70711585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).