1-(2-methylindazol-5-yl)-5-oxopyrrolidine-3-sulfonyl chloride

C12H12ClN3O3S — CID 168711992

IUPAC1-(2-methylindazol-5-yl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESCn1cc2cc(N3CC(S(=O)(=O)Cl)CC3=O)ccc2n1
InChIInChI=1S/C12H12ClN3O3S/c1-15-6-8-4-9(2-3-11(8)14-15)16-7-10(5-12(16)17)20(13,18)19/h2-4,6,10H,5,7H2,1H3
InChIKeyRJYNDJOUNIEKCU-UHFFFAOYSA-N
MW313.77 g/mol
LogP1.25
Rot. Bonds2

About 1-(2-methylindazol-5-yl)-5-oxopyrrolidine-3-sulfonyl chloride

1-(2-methylindazol-5-yl)-5-oxopyrrolidine-3-sulfonyl chloride (PubChem CID 168711992) has the molecular formula C12H12ClN3O3S and a molecular weight of 313.77 g/mol. Its IUPAC name is 1-(2-methylindazol-5-yl)-5-oxopyrrolidine-3-sulfonyl chloride.

Molecular Properties

Compound Name1-(2-methylindazol-5-yl)-5-oxopyrrolidine-3-sulfonyl chloride
PubChem CID168711992
Molecular FormulaC12H12ClN3O3S
Molecular Weight313.77 g/mol
Exact Mass313.03
IUPAC Name1-(2-methylindazol-5-yl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESCn1cc2cc(N3CC(S(=O)(=O)Cl)CC3=O)ccc2n1
InChIInChI=1S/C12H12ClN3O3S/c1-15-6-8-4-9(2-3-11(8)14-15)16-7-10(5-12(16)17)20(13,18)19/h2-4,6,10H,5,7H2,1H3
InChIKeyRJYNDJOUNIEKCU-UHFFFAOYSA-N
XLogP1.25
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.77
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methylindazol-5-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670795
4-(aminomethyl)-1-(2-methylindazol-5-yl)pyrrolidin-2-one
CID 168660099
1-(2-methylindazol-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 168697119
S-[1-(2-methylindazol-5-yl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168705873
1-(2-chloro-1,3-benzothiazol-6-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712451
S-[[1-(2-methylindazol-5-yl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168667466
1-(3-chloro-4-iodophenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712434
1-(4-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711758
1-(2-chloro-6-methyl-4-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711863
1-(3-imidazol-1-ylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712813
5-oxo-1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-sulfonyl chloride
CID 168712479
5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-3-sulfonyl chloride
CID 168712792

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylindazol-5-yl)-5-oxopyrrolidine-3-sulfonyl chloride?
The IUPAC name of 1-(2-methylindazol-5-yl)-5-oxopyrrolidine-3-sulfonyl chloride (CID 168711992) is 1-(2-methylindazol-5-yl)-5-oxopyrrolidine-3-sulfonyl chloride.
What is the SMILES notation for 1-(2-methylindazol-5-yl)-5-oxopyrrolidine-3-sulfonyl chloride?
The canonical SMILES for 1-(2-methylindazol-5-yl)-5-oxopyrrolidine-3-sulfonyl chloride is Cn1cc2cc(N3CC(S(=O)(=O)Cl)CC3=O)ccc2n1.
What is the InChIKey of 1-(2-methylindazol-5-yl)-5-oxopyrrolidine-3-sulfonyl chloride?
The InChIKey is RJYNDJOUNIEKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O3S/c1-15-6-8-4-9(2-3-11(8)14-15)16-7-10(5-12(16)17)20(13,18)19/h2-4,6,10H,5,7H2,1H3.
What are the key properties of 1-(2-methylindazol-5-yl)-5-oxopyrrolidine-3-sulfonyl chloride?
1-(2-methylindazol-5-yl)-5-oxopyrrolidine-3-sulfonyl chloride has a molecular weight of 313.77 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylindazol-5-yl)-5-oxopyrrolidine-3-sulfonyl chloride is sourced from PubChem (CID 168711992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).