N-methyl-5-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]furan-2-sulfonamide

C14H18N4O4S — CID 56801184

IUPACN-methyl-5-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]furan-2-sulfonamide
SMILESCNS(=O)(=O)c1ccc(C(=O)N2CCCC2c2cnn(C)c2)o1
InChIInChI=1S/C14H18N4O4S/c1-15-23(20,21)13-6-5-12(22-13)14(19)18-7-3-4-11(18)10-8-16-17(2)9-10/h5-6,8-9,11,15H,3-4,7H2,1-2H3
InChIKeyNDVFVHFYAPLMMH-UHFFFAOYSA-N
MW338.39 g/mol
LogP0.90
Rot. Bonds4

About N-methyl-5-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]furan-2-sulfonamide

N-methyl-5-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]furan-2-sulfonamide (PubChem CID 56801184) has the molecular formula C14H18N4O4S and a molecular weight of 338.39 g/mol. Its IUPAC name is N-methyl-5-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]furan-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-5-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]furan-2-sulfonamide
PubChem CID56801184
Molecular FormulaC14H18N4O4S
Molecular Weight338.39 g/mol
Exact Mass338.10
IUPAC NameN-methyl-5-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]furan-2-sulfonamide
SMILESCNS(=O)(=O)c1ccc(C(=O)N2CCCC2c2cnn(C)c2)o1
InChIInChI=1S/C14H18N4O4S/c1-15-23(20,21)13-6-5-12(22-13)14(19)18-7-3-4-11(18)10-8-16-17(2)9-10/h5-6,8-9,11,15H,3-4,7H2,1-2H3
InChIKeyNDVFVHFYAPLMMH-UHFFFAOYSA-N
XLogP0.90
TPSA97.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]furan-2-sulfonamide?
The IUPAC name of N-methyl-5-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]furan-2-sulfonamide (CID 56801184) is N-methyl-5-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]furan-2-sulfonamide.
What is the SMILES notation for N-methyl-5-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]furan-2-sulfonamide?
The canonical SMILES for N-methyl-5-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]furan-2-sulfonamide is CNS(=O)(=O)c1ccc(C(=O)N2CCCC2c2cnn(C)c2)o1.
What is the InChIKey of N-methyl-5-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]furan-2-sulfonamide?
The InChIKey is NDVFVHFYAPLMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4S/c1-15-23(20,21)13-6-5-12(22-13)14(19)18-7-3-4-11(18)10-8-16-17(2)9-10/h5-6,8-9,11,15H,3-4,7H2,1-2H3.
What are the key properties of N-methyl-5-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]furan-2-sulfonamide?
N-methyl-5-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]furan-2-sulfonamide has a molecular weight of 338.39 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]furan-2-sulfonamide is sourced from PubChem (CID 56801184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).