1-[5-(benzenesulfonyl)thiophen-2-yl]sulfonylpyrrolidine

C14H15NO4S3 — CID 2820762

IUPAC1-[5-(benzenesulfonyl)thiophen-2-yl]sulfonylpyrrolidine
SMILESO=S(=O)(c1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)s1
InChIInChI=1S/C14H15NO4S3/c16-21(17,12-6-2-1-3-7-12)13-8-9-14(20-13)22(18,19)15-10-4-5-11-15/h1-3,6-9H,4-5,10-11H2
InChIKeyQNFRALOLHMDILB-UHFFFAOYSA-N
MW357.48 g/mol
LogP2.37
Rot. Bonds4

About 1-[5-(benzenesulfonyl)thiophen-2-yl]sulfonylpyrrolidine

1-[5-(benzenesulfonyl)thiophen-2-yl]sulfonylpyrrolidine (PubChem CID 2820762) has the molecular formula C14H15NO4S3 and a molecular weight of 357.48 g/mol. Its IUPAC name is 1-[5-(benzenesulfonyl)thiophen-2-yl]sulfonylpyrrolidine.

Molecular Properties

Compound Name1-[5-(benzenesulfonyl)thiophen-2-yl]sulfonylpyrrolidine
PubChem CID2820762
Molecular FormulaC14H15NO4S3
Molecular Weight357.48 g/mol
Exact Mass357.02
IUPAC Name1-[5-(benzenesulfonyl)thiophen-2-yl]sulfonylpyrrolidine
SMILESO=S(=O)(c1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)s1
InChIInChI=1S/C14H15NO4S3/c16-21(17,12-6-2-1-3-7-12)13-8-9-14(20-13)22(18,19)15-10-4-5-11-15/h1-3,6-9H,4-5,10-11H2
InChIKeyQNFRALOLHMDILB-UHFFFAOYSA-N
XLogP2.37
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(Phenylsulfonyl)-2-(2-thienyl)pyrrolidine
CID 2805670
1-[(2,5-Dimethylthiophen-3-yl)sulfonyl]pyrrolidine
CID 715527
US10807974, Example 14
CID 130344852
US10807974, Example 15
CID 130344869
1-[(2,5-Dimethylthiophen-3-yl)sulfonyl]piperidine
CID 718928
1-[(5-Methyl-2-thienyl)sulfonyl]pyrrolidine
CID 2240996
5-(Phenylsulfonyl)thiophene-2-Sulfonamide
CID 10828282
Bis[3-(1-pyrrolidinylsulfonyl)phenyl] sulfone
CID 1379160
Dideuterio-[5-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine
CID 141671533
Sulfoximine, S-phenyl-N-(2-(1-pyrrolidinyl)ethyl)-S-2-thienyl-
CID 3054394
5-[5-(diethylsulfamoyl)thiophen-2-yl]-N,N-diethylthiophene-2-sulfonamide
CID 2739888
2-Thiophenesulfonamide,5-[[4-[(dimethylamino)sulfonyl]phenyl]thio]-
CID 12736862

Frequently Asked Questions

What is the IUPAC name of 1-[5-(benzenesulfonyl)thiophen-2-yl]sulfonylpyrrolidine?
The IUPAC name of 1-[5-(benzenesulfonyl)thiophen-2-yl]sulfonylpyrrolidine (CID 2820762) is 1-[5-(benzenesulfonyl)thiophen-2-yl]sulfonylpyrrolidine.
What is the SMILES notation for 1-[5-(benzenesulfonyl)thiophen-2-yl]sulfonylpyrrolidine?
The canonical SMILES for 1-[5-(benzenesulfonyl)thiophen-2-yl]sulfonylpyrrolidine is O=S(=O)(c1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)s1.
What is the InChIKey of 1-[5-(benzenesulfonyl)thiophen-2-yl]sulfonylpyrrolidine?
The InChIKey is QNFRALOLHMDILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S3/c16-21(17,12-6-2-1-3-7-12)13-8-9-14(20-13)22(18,19)15-10-4-5-11-15/h1-3,6-9H,4-5,10-11H2.
What are the key properties of 1-[5-(benzenesulfonyl)thiophen-2-yl]sulfonylpyrrolidine?
1-[5-(benzenesulfonyl)thiophen-2-yl]sulfonylpyrrolidine has a molecular weight of 357.48 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(benzenesulfonyl)thiophen-2-yl]sulfonylpyrrolidine is sourced from PubChem (CID 2820762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).