[1-(1H-indazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide

C12H14N4O3S — CID 168682542

IUPAC[1-(1H-indazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(c2ccc3[nH]ncc3c2)C1
InChIInChI=1S/C12H14N4O3S/c13-20(18,19)7-8-3-12(17)16(6-8)10-1-2-11-9(4-10)5-14-15-11/h1-2,4-5,8H,3,6-7H2,(H,14,15)(H2,13,18,19)
InChIKeyQZCNEYSWZATSGO-UHFFFAOYSA-N
MW294.34 g/mol
LogP0.20
Rot. Bonds3

About [1-(1H-indazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-(1H-indazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168682542) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is [1-(1H-indazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(1H-indazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168682542
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Name[1-(1H-indazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(c2ccc3[nH]ncc3c2)C1
InChIInChI=1S/C12H14N4O3S/c13-20(18,19)7-8-3-12(17)16(6-8)10-1-2-11-9(4-10)5-14-15-11/h1-2,4-5,8H,3,6-7H2,(H,14,15)(H2,13,18,19)
InChIKeyQZCNEYSWZATSGO-UHFFFAOYSA-N
XLogP0.20
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonamide
CID 168683247
[1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683033
[1-(3,4-difluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682505
[(3R)-1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 97297929
[1-(2-fluoro-4-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683056
[1-(3-chloro-4-hydroxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682499
[5-oxo-1-(4-sulfanylphenyl)pyrrolidin-3-yl]methanesulfonamide
CID 168682592
[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681795
[5-oxo-1-(3-propan-2-ylphenyl)pyrrolidin-3-yl]methanesulfonamide
CID 168680676
[1-[6-(diethylamino)-3-pyridinyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680793
[5-oxo-1-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)pyrrolidin-3-yl]methanesulfonamide
CID 168683059
[1-(5-chloro-3-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682856

Frequently Asked Questions

What is the IUPAC name of [1-(1H-indazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(1H-indazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168682542) is [1-(1H-indazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(1H-indazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(1H-indazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide is NS(=O)(=O)CC1CC(=O)N(c2ccc3[nH]ncc3c2)C1.
What is the InChIKey of [1-(1H-indazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is QZCNEYSWZATSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c13-20(18,19)7-8-3-12(17)16(6-8)10-1-2-11-9(4-10)5-14-15-11/h1-2,4-5,8H,3,6-7H2,(H,14,15)(H2,13,18,19).
What are the key properties of [1-(1H-indazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-(1H-indazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 294.34 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-indazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168682542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).