1-(1-methylindazol-7-yl)-5-oxopyrrolidine-3-sulfonyl chloride

C12H12ClN3O3S — CID 168711997

IUPAC1-(1-methylindazol-7-yl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESCn1ncc2cccc(N3CC(S(=O)(=O)Cl)CC3=O)c21
InChIInChI=1S/C12H12ClN3O3S/c1-15-12-8(6-14-15)3-2-4-10(12)16-7-9(5-11(16)17)20(13,18)19/h2-4,6,9H,5,7H2,1H3
InChIKeyUKLMQCVYMFAIHZ-UHFFFAOYSA-N
MW313.77 g/mol
LogP1.25
Rot. Bonds2

About 1-(1-methylindazol-7-yl)-5-oxopyrrolidine-3-sulfonyl chloride

1-(1-methylindazol-7-yl)-5-oxopyrrolidine-3-sulfonyl chloride (PubChem CID 168711997) has the molecular formula C12H12ClN3O3S and a molecular weight of 313.77 g/mol. Its IUPAC name is 1-(1-methylindazol-7-yl)-5-oxopyrrolidine-3-sulfonyl chloride.

Molecular Properties

Compound Name1-(1-methylindazol-7-yl)-5-oxopyrrolidine-3-sulfonyl chloride
PubChem CID168711997
Molecular FormulaC12H12ClN3O3S
Molecular Weight313.77 g/mol
Exact Mass313.03
IUPAC Name1-(1-methylindazol-7-yl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESCn1ncc2cccc(N3CC(S(=O)(=O)Cl)CC3=O)c21
InChIInChI=1S/C12H12ClN3O3S/c1-15-12-8(6-14-15)3-2-4-10(12)16-7-9(5-11(16)17)20(13,18)19/h2-4,6,9H,5,7H2,1H3
InChIKeyUKLMQCVYMFAIHZ-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-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711657
1-(2-chloro-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712878
1-(5-bromonaphthalen-1-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712717
5-oxo-1-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-sulfonyl chloride
CID 168712596
1-[2-fluoro-3-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712610
1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712000
5-oxo-1-(1,10-phenanthrolin-5-yl)pyrrolidine-3-sulfonyl chloride
CID 168712719
1-(6-bromo-2-chloro-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712539
1-(4-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711528
2-(1-methylindazol-7-yl)ethanesulfonyl chloride
CID 84709598
5-oxo-1-pyrimidin-2-ylpyrrolidine-3-sulfonyl chloride
CID 168712980
1-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711676

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylindazol-7-yl)-5-oxopyrrolidine-3-sulfonyl chloride?
The IUPAC name of 1-(1-methylindazol-7-yl)-5-oxopyrrolidine-3-sulfonyl chloride (CID 168711997) is 1-(1-methylindazol-7-yl)-5-oxopyrrolidine-3-sulfonyl chloride.
What is the SMILES notation for 1-(1-methylindazol-7-yl)-5-oxopyrrolidine-3-sulfonyl chloride?
The canonical SMILES for 1-(1-methylindazol-7-yl)-5-oxopyrrolidine-3-sulfonyl chloride is Cn1ncc2cccc(N3CC(S(=O)(=O)Cl)CC3=O)c21.
What is the InChIKey of 1-(1-methylindazol-7-yl)-5-oxopyrrolidine-3-sulfonyl chloride?
The InChIKey is UKLMQCVYMFAIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O3S/c1-15-12-8(6-14-15)3-2-4-10(12)16-7-9(5-11(16)17)20(13,18)19/h2-4,6,9H,5,7H2,1H3.
What are the key properties of 1-(1-methylindazol-7-yl)-5-oxopyrrolidine-3-sulfonyl chloride?
1-(1-methylindazol-7-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-(1-methylindazol-7-yl)-5-oxopyrrolidine-3-sulfonyl chloride is sourced from PubChem (CID 168711997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).