1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine

C8H10ClNO2S2 — CID 778339

IUPAC1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCCC1
InChIInChI=1S/C8H10ClNO2S2/c9-7-3-4-8(13-7)14(11,12)10-5-1-2-6-10/h3-4H,1-2,5-6H2
InChIKeyMZSMKFARDDXOOT-UHFFFAOYSA-N
MW251.76 g/mol
LogP2.19
Rot. Bonds2

About 1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine

1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine (PubChem CID 778339) has the molecular formula C8H10ClNO2S2 and a molecular weight of 251.76 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine
PubChem CID778339
Molecular FormulaC8H10ClNO2S2
Molecular Weight251.76 g/mol
Exact Mass250.98
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCCC1
InChIInChI=1S/C8H10ClNO2S2/c9-7-3-4-8(13-7)14(11,12)10-5-1-2-6-10/h3-4H,1-2,5-6H2
InChIKeyMZSMKFARDDXOOT-UHFFFAOYSA-N
XLogP2.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-Bromo-5-chloro-2-thienyl)sulfonyl]pyrrolidine
CID 2741063
5-Chloro-2-[(4-methylpiperidyl)sulfonyl]thiophene
CID 5093213
2-Chloro-5-(piperidylsulfonyl)thiophene
CID 1541659
1-[(2,5-Dichloro-3-thienyl)sulfonyl]pyrrolidine
CID 2805365
1-(5-Chloro-thiophene-2-sulfonyl)-3-methyl-piperidine
CID 2942730
5-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-2-sulfonamide
CID 16302058
5-chloro-N-[[(2S)-pyrrolidin-2-yl]methyl]thiophene-2-sulfonamide
CID 178294063
(1R,5S)-8-((5-chlorothiophen-2-yl)sulfonyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 76150721
methyl [(S)-1-(5-chloro-2-thienylsulfonyl)-3-pyrrolidinylthio]acetate
CID 99982681
(2S,3R,5R)-1-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-2,5-dimethylpyrrolidine
CID 139563893
1-(2-Thienylsulfonyl)pyrrolidine
CID 738068
1-(5-Chlorothiophen-2-yl)sulfonylazepane
CID 775842

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine (CID 778339) is 1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine is O=S(=O)(c1ccc(Cl)s1)N1CCCC1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine?
The InChIKey is MZSMKFARDDXOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO2S2/c9-7-3-4-8(13-7)14(11,12)10-5-1-2-6-10/h3-4H,1-2,5-6H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine?
1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine has a molecular weight of 251.76 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine is sourced from PubChem (CID 778339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).