N-[(2S)-butan-2-yl]-5-(4,5-dimethyl-1H-pyrazol-3-yl)furan-2-sulfonamide

C13H19N3O3S — CID 92889830

IUPACN-[(2S)-butan-2-yl]-5-(4,5-dimethyl-1H-pyrazol-3-yl)furan-2-sulfonamide
SMILESCC[C@H](C)NS(=O)(=O)c1ccc(-c2n[nH]c(C)c2C)o1
InChIInChI=1S/C13H19N3O3S/c1-5-8(2)16-20(17,18)12-7-6-11(19-12)13-9(3)10(4)14-15-13/h6-8,16H,5H2,1-4H3,(H,14,15)/t8-/m0/s1
InChIKeyQQCWXCRGTNXWJL-QMMMGPOBSA-N
MW297.38 g/mol
LogP2.36
Rot. Bonds5

About N-[(2S)-butan-2-yl]-5-(4,5-dimethyl-1H-pyrazol-3-yl)furan-2-sulfonamide

N-[(2S)-butan-2-yl]-5-(4,5-dimethyl-1H-pyrazol-3-yl)furan-2-sulfonamide (PubChem CID 92889830) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-5-(4,5-dimethyl-1H-pyrazol-3-yl)furan-2-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-5-(4,5-dimethyl-1H-pyrazol-3-yl)furan-2-sulfonamide
PubChem CID92889830
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC NameN-[(2S)-butan-2-yl]-5-(4,5-dimethyl-1H-pyrazol-3-yl)furan-2-sulfonamide
SMILESCC[C@H](C)NS(=O)(=O)c1ccc(-c2n[nH]c(C)c2C)o1
InChIInChI=1S/C13H19N3O3S/c1-5-8(2)16-20(17,18)12-7-6-11(19-12)13-9(3)10(4)14-15-13/h6-8,16H,5H2,1-4H3,(H,14,15)/t8-/m0/s1
InChIKeyQQCWXCRGTNXWJL-QMMMGPOBSA-N
XLogP2.36
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-5-(4,5-dimethyl-1H-pyrazol-3-yl)furan-2-sulfonamide?
The IUPAC name of N-[(2S)-butan-2-yl]-5-(4,5-dimethyl-1H-pyrazol-3-yl)furan-2-sulfonamide (CID 92889830) is N-[(2S)-butan-2-yl]-5-(4,5-dimethyl-1H-pyrazol-3-yl)furan-2-sulfonamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-5-(4,5-dimethyl-1H-pyrazol-3-yl)furan-2-sulfonamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-5-(4,5-dimethyl-1H-pyrazol-3-yl)furan-2-sulfonamide is CC[C@H](C)NS(=O)(=O)c1ccc(-c2n[nH]c(C)c2C)o1.
What is the InChIKey of N-[(2S)-butan-2-yl]-5-(4,5-dimethyl-1H-pyrazol-3-yl)furan-2-sulfonamide?
The InChIKey is QQCWXCRGTNXWJL-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-5-8(2)16-20(17,18)12-7-6-11(19-12)13-9(3)10(4)14-15-13/h6-8,16H,5H2,1-4H3,(H,14,15)/t8-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-5-(4,5-dimethyl-1H-pyrazol-3-yl)furan-2-sulfonamide?
N-[(2S)-butan-2-yl]-5-(4,5-dimethyl-1H-pyrazol-3-yl)furan-2-sulfonamide has a molecular weight of 297.38 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-5-(4,5-dimethyl-1H-pyrazol-3-yl)furan-2-sulfonamide is sourced from PubChem (CID 92889830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).