5-methyl-N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]-4-methylsulfonylfuran-2-sulfonamide

C13H17N3O5S2 — CID 154855441

IUPAC5-methyl-N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]-4-methylsulfonylfuran-2-sulfonamide
SMILESCc1oc(S(=O)(=O)Nc2cc(C3(C)CC3)[nH]n2)cc1S(C)(=O)=O
InChIInChI=1S/C13H17N3O5S2/c1-8-9(22(3,17)18)6-12(21-8)23(19,20)16-11-7-10(14-15-11)13(2)4-5-13/h6-7H,4-5H2,1-3H3,(H2,14,15,16)
InChIKeyAPJZSVQORBMMMI-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.57
Rot. Bonds5

About 5-methyl-N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]-4-methylsulfonylfuran-2-sulfonamide

5-methyl-N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]-4-methylsulfonylfuran-2-sulfonamide (PubChem CID 154855441) has the molecular formula C13H17N3O5S2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 5-methyl-N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]-4-methylsulfonylfuran-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]-4-methylsulfonylfuran-2-sulfonamide
PubChem CID154855441
Molecular FormulaC13H17N3O5S2
Molecular Weight359.43 g/mol
Exact Mass359.06
IUPAC Name5-methyl-N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]-4-methylsulfonylfuran-2-sulfonamide
SMILESCc1oc(S(=O)(=O)Nc2cc(C3(C)CC3)[nH]n2)cc1S(C)(=O)=O
InChIInChI=1S/C13H17N3O5S2/c1-8-9(22(3,17)18)6-12(21-8)23(19,20)16-11-7-10(14-15-11)13(2)4-5-13/h6-7H,4-5H2,1-3H3,(H2,14,15,16)
InChIKeyAPJZSVQORBMMMI-UHFFFAOYSA-N
XLogP1.57
TPSA122.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]-4-methylsulfonylfuran-2-sulfonamide?
The IUPAC name of 5-methyl-N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]-4-methylsulfonylfuran-2-sulfonamide (CID 154855441) is 5-methyl-N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]-4-methylsulfonylfuran-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]-4-methylsulfonylfuran-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]-4-methylsulfonylfuran-2-sulfonamide is Cc1oc(S(=O)(=O)Nc2cc(C3(C)CC3)[nH]n2)cc1S(C)(=O)=O.
What is the InChIKey of 5-methyl-N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]-4-methylsulfonylfuran-2-sulfonamide?
The InChIKey is APJZSVQORBMMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5S2/c1-8-9(22(3,17)18)6-12(21-8)23(19,20)16-11-7-10(14-15-11)13(2)4-5-13/h6-7H,4-5H2,1-3H3,(H2,14,15,16).
What are the key properties of 5-methyl-N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]-4-methylsulfonylfuran-2-sulfonamide?
5-methyl-N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]-4-methylsulfonylfuran-2-sulfonamide has a molecular weight of 359.43 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]-4-methylsulfonylfuran-2-sulfonamide is sourced from PubChem (CID 154855441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).