N-[(1-propan-2-ylimidazol-2-yl)methyl]-5-(1H-pyrazol-5-yl)furan-2-sulfonamide

C14H17N5O3S — CID 122563107

IUPACN-[(1-propan-2-ylimidazol-2-yl)methyl]-5-(1H-pyrazol-5-yl)furan-2-sulfonamide
SMILESCC(C)n1ccnc1CNS(=O)(=O)c1ccc(-c2ccn[nH]2)o1
InChIInChI=1S/C14H17N5O3S/c1-10(2)19-8-7-15-13(19)9-17-23(20,21)14-4-3-12(22-14)11-5-6-16-18-11/h3-8,10,17H,9H2,1-2H3,(H,16,18)
InChIKeyLDJCOUXNRPZORZ-UHFFFAOYSA-N
MW335.39 g/mol
LogP1.93
Rot. Bonds6

About N-[(1-propan-2-ylimidazol-2-yl)methyl]-5-(1H-pyrazol-5-yl)furan-2-sulfonamide

N-[(1-propan-2-ylimidazol-2-yl)methyl]-5-(1H-pyrazol-5-yl)furan-2-sulfonamide (PubChem CID 122563107) has the molecular formula C14H17N5O3S and a molecular weight of 335.39 g/mol. Its IUPAC name is N-[(1-propan-2-ylimidazol-2-yl)methyl]-5-(1H-pyrazol-5-yl)furan-2-sulfonamide.

Molecular Properties

Compound NameN-[(1-propan-2-ylimidazol-2-yl)methyl]-5-(1H-pyrazol-5-yl)furan-2-sulfonamide
PubChem CID122563107
Molecular FormulaC14H17N5O3S
Molecular Weight335.39 g/mol
Exact Mass335.11
IUPAC NameN-[(1-propan-2-ylimidazol-2-yl)methyl]-5-(1H-pyrazol-5-yl)furan-2-sulfonamide
SMILESCC(C)n1ccnc1CNS(=O)(=O)c1ccc(-c2ccn[nH]2)o1
InChIInChI=1S/C14H17N5O3S/c1-10(2)19-8-7-15-13(19)9-17-23(20,21)14-4-3-12(22-14)11-5-6-16-18-11/h3-8,10,17H,9H2,1-2H3,(H,16,18)
InChIKeyLDJCOUXNRPZORZ-UHFFFAOYSA-N
XLogP1.93
TPSA105.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylimidazol-2-yl)methyl]-5-(1H-pyrazol-5-yl)furan-2-sulfonamide?
The IUPAC name of N-[(1-propan-2-ylimidazol-2-yl)methyl]-5-(1H-pyrazol-5-yl)furan-2-sulfonamide (CID 122563107) is N-[(1-propan-2-ylimidazol-2-yl)methyl]-5-(1H-pyrazol-5-yl)furan-2-sulfonamide.
What is the SMILES notation for N-[(1-propan-2-ylimidazol-2-yl)methyl]-5-(1H-pyrazol-5-yl)furan-2-sulfonamide?
The canonical SMILES for N-[(1-propan-2-ylimidazol-2-yl)methyl]-5-(1H-pyrazol-5-yl)furan-2-sulfonamide is CC(C)n1ccnc1CNS(=O)(=O)c1ccc(-c2ccn[nH]2)o1.
What is the InChIKey of N-[(1-propan-2-ylimidazol-2-yl)methyl]-5-(1H-pyrazol-5-yl)furan-2-sulfonamide?
The InChIKey is LDJCOUXNRPZORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3S/c1-10(2)19-8-7-15-13(19)9-17-23(20,21)14-4-3-12(22-14)11-5-6-16-18-11/h3-8,10,17H,9H2,1-2H3,(H,16,18).
What are the key properties of N-[(1-propan-2-ylimidazol-2-yl)methyl]-5-(1H-pyrazol-5-yl)furan-2-sulfonamide?
N-[(1-propan-2-ylimidazol-2-yl)methyl]-5-(1H-pyrazol-5-yl)furan-2-sulfonamide has a molecular weight of 335.39 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylimidazol-2-yl)methyl]-5-(1H-pyrazol-5-yl)furan-2-sulfonamide is sourced from PubChem (CID 122563107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).