N-cyclopropyl-5-(4,5-dimethyl-1H-pyrazol-3-yl)furan-2-sulfonamide

C12H15N3O3S — CID 50784635

IUPACN-cyclopropyl-5-(4,5-dimethyl-1H-pyrazol-3-yl)furan-2-sulfonamide
SMILESCc1[nH]nc(-c2ccc(S(=O)(=O)NC3CC3)o2)c1C
InChIInChI=1S/C12H15N3O3S/c1-7-8(2)13-14-12(7)10-5-6-11(18-10)19(16,17)15-9-3-4-9/h5-6,9,15H,3-4H2,1-2H3,(H,13,14)
InChIKeyOGPJAZSCEUKTTE-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.73
Rot. Bonds4

About N-cyclopropyl-5-(4,5-dimethyl-1H-pyrazol-3-yl)furan-2-sulfonamide

N-cyclopropyl-5-(4,5-dimethyl-1H-pyrazol-3-yl)furan-2-sulfonamide (PubChem CID 50784635) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is N-cyclopropyl-5-(4,5-dimethyl-1H-pyrazol-3-yl)furan-2-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-5-(4,5-dimethyl-1H-pyrazol-3-yl)furan-2-sulfonamide
PubChem CID50784635
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC NameN-cyclopropyl-5-(4,5-dimethyl-1H-pyrazol-3-yl)furan-2-sulfonamide
SMILESCc1[nH]nc(-c2ccc(S(=O)(=O)NC3CC3)o2)c1C
InChIInChI=1S/C12H15N3O3S/c1-7-8(2)13-14-12(7)10-5-6-11(18-10)19(16,17)15-9-3-4-9/h5-6,9,15H,3-4H2,1-2H3,(H,13,14)
InChIKeyOGPJAZSCEUKTTE-UHFFFAOYSA-N
XLogP1.73
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(4,5-dimethyl-1H-pyrazol-3-yl)furan-2-sulfonamide?
The IUPAC name of N-cyclopropyl-5-(4,5-dimethyl-1H-pyrazol-3-yl)furan-2-sulfonamide (CID 50784635) is N-cyclopropyl-5-(4,5-dimethyl-1H-pyrazol-3-yl)furan-2-sulfonamide.
What is the SMILES notation for N-cyclopropyl-5-(4,5-dimethyl-1H-pyrazol-3-yl)furan-2-sulfonamide?
The canonical SMILES for N-cyclopropyl-5-(4,5-dimethyl-1H-pyrazol-3-yl)furan-2-sulfonamide is Cc1[nH]nc(-c2ccc(S(=O)(=O)NC3CC3)o2)c1C.
What is the InChIKey of N-cyclopropyl-5-(4,5-dimethyl-1H-pyrazol-3-yl)furan-2-sulfonamide?
The InChIKey is OGPJAZSCEUKTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-7-8(2)13-14-12(7)10-5-6-11(18-10)19(16,17)15-9-3-4-9/h5-6,9,15H,3-4H2,1-2H3,(H,13,14).
What are the key properties of N-cyclopropyl-5-(4,5-dimethyl-1H-pyrazol-3-yl)furan-2-sulfonamide?
N-cyclopropyl-5-(4,5-dimethyl-1H-pyrazol-3-yl)furan-2-sulfonamide has a molecular weight of 281.34 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(4,5-dimethyl-1H-pyrazol-3-yl)furan-2-sulfonamide is sourced from PubChem (CID 50784635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).