1-[1-(benzenesulfonyl)pyrrol-3-yl]sulfonylpiperidine

C15H18N2O4S2 — CID 17247641

IUPAC1-[1-(benzenesulfonyl)pyrrol-3-yl]sulfonylpiperidine
SMILESO=S(=O)(c1ccn(S(=O)(=O)c2ccccc2)c1)N1CCCCC1
InChIInChI=1S/C15H18N2O4S2/c18-22(19,14-7-3-1-4-8-14)17-12-9-15(13-17)23(20,21)16-10-5-2-6-11-16/h1,3-4,7-9,12-13H,2,5-6,10-11H2
InChIKeyHOEQHILLFFZIBA-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.90
Rot. Bonds4

About 1-[1-(benzenesulfonyl)pyrrol-3-yl]sulfonylpiperidine

1-[1-(benzenesulfonyl)pyrrol-3-yl]sulfonylpiperidine (PubChem CID 17247641) has the molecular formula C15H18N2O4S2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-[1-(benzenesulfonyl)pyrrol-3-yl]sulfonylpiperidine.

Molecular Properties

Compound Name1-[1-(benzenesulfonyl)pyrrol-3-yl]sulfonylpiperidine
PubChem CID17247641
Molecular FormulaC15H18N2O4S2
Molecular Weight354.45 g/mol
Exact Mass354.07
IUPAC Name1-[1-(benzenesulfonyl)pyrrol-3-yl]sulfonylpiperidine
SMILESO=S(=O)(c1ccn(S(=O)(=O)c2ccccc2)c1)N1CCCCC1
InChIInChI=1S/C15H18N2O4S2/c18-22(19,14-7-3-1-4-8-14)17-12-9-15(13-17)23(20,21)16-10-5-2-6-11-16/h1,3-4,7-9,12-13H,2,5-6,10-11H2
InChIKeyHOEQHILLFFZIBA-UHFFFAOYSA-N
XLogP1.90
TPSA76.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-bis(benzenesulfonyl)-1,3-diazocane
CID 13382390
1-(4-phenoxyphenyl)sulfonylpiperidine
CID 779936
4-(azocan-1-ylsulfonyl)benzoic acid
CID 23604687
1-(benzenesulfonyl)-N-(3,4-dichlorophenyl)pyrrole-3-sulfonamide
CID 17247618
1,3-bis(benzenesulfonyl)imidazolidine
CID 1354022
1-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]sulfonylazepane
CID 1167101
(4-piperidin-1-ylsulfonylphenyl)phosphane
CID 142954366
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
2-(benzenesulfonyl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 3160801
5-(azepan-1-ylsulfonyl)-1-benzylpyridin-2-one
CID 53170573
4-[4-(azepan-1-ylsulfonyl)phenyl]sulfonylpiperazine-1-carbaldehyde
CID 1433317
N-[3-(azepan-1-ylsulfonyl)phenyl]benzenesulfonamide
CID 2919639

Frequently Asked Questions

What is the IUPAC name of 1-[1-(benzenesulfonyl)pyrrol-3-yl]sulfonylpiperidine?
The IUPAC name of 1-[1-(benzenesulfonyl)pyrrol-3-yl]sulfonylpiperidine (CID 17247641) is 1-[1-(benzenesulfonyl)pyrrol-3-yl]sulfonylpiperidine.
What is the SMILES notation for 1-[1-(benzenesulfonyl)pyrrol-3-yl]sulfonylpiperidine?
The canonical SMILES for 1-[1-(benzenesulfonyl)pyrrol-3-yl]sulfonylpiperidine is O=S(=O)(c1ccn(S(=O)(=O)c2ccccc2)c1)N1CCCCC1.
What is the InChIKey of 1-[1-(benzenesulfonyl)pyrrol-3-yl]sulfonylpiperidine?
The InChIKey is HOEQHILLFFZIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S2/c18-22(19,14-7-3-1-4-8-14)17-12-9-15(13-17)23(20,21)16-10-5-2-6-11-16/h1,3-4,7-9,12-13H,2,5-6,10-11H2.
What are the key properties of 1-[1-(benzenesulfonyl)pyrrol-3-yl]sulfonylpiperidine?
1-[1-(benzenesulfonyl)pyrrol-3-yl]sulfonylpiperidine has a molecular weight of 354.45 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(benzenesulfonyl)pyrrol-3-yl]sulfonylpiperidine is sourced from PubChem (CID 17247641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).