N-[1-(benzenesulfonyl)pyrrolidin-3-yl]benzenesulfonamide

C16H18N2O4S2 — CID 91241867

IUPACN-[1-(benzenesulfonyl)pyrrolidin-3-yl]benzenesulfonamide
SMILESO=S(=O)(NC1CCN(S(=O)(=O)c2ccccc2)C1)c1ccccc1
InChIInChI=1S/C16H18N2O4S2/c19-23(20,15-7-3-1-4-8-15)17-14-11-12-18(13-14)24(21,22)16-9-5-2-6-10-16/h1-10,14,17H,11-13H2
InChIKeyJSUUJAHMHGGFEM-UHFFFAOYSA-N
MW366.46 g/mol
LogP1.43
Rot. Bonds5

About N-[1-(benzenesulfonyl)pyrrolidin-3-yl]benzenesulfonamide

N-[1-(benzenesulfonyl)pyrrolidin-3-yl]benzenesulfonamide (PubChem CID 91241867) has the molecular formula C16H18N2O4S2 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[1-(benzenesulfonyl)pyrrolidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(benzenesulfonyl)pyrrolidin-3-yl]benzenesulfonamide
PubChem CID91241867
Molecular FormulaC16H18N2O4S2
Molecular Weight366.46 g/mol
Exact Mass366.07
IUPAC NameN-[1-(benzenesulfonyl)pyrrolidin-3-yl]benzenesulfonamide
SMILESO=S(=O)(NC1CCN(S(=O)(=O)c2ccccc2)C1)c1ccccc1
InChIInChI=1S/C16H18N2O4S2/c19-23(20,15-7-3-1-4-8-15)17-14-11-12-18(13-14)24(21,22)16-9-5-2-6-10-16/h1-10,14,17H,11-13H2
InChIKeyJSUUJAHMHGGFEM-UHFFFAOYSA-N
XLogP1.43
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1-ethylsulfonylpiperidin-3-yl]benzenesulfonamide
CID 95310247
N-[1-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperidin-4-yl]benzenesulfonamide
CID 40952437
N-(1-benzylpyrrolidin-3-yl)benzenesulfonamide
CID 51169833
N-[1-(4-bromo-3-methylphenyl)sulfonylpiperidin-4-yl]benzenesulfonamide
CID 55483004
4-(4-aminopiperidin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide
CID 119959258
4-fluoro-N-(1-methylsulfonylpyrrolidin-3-yl)benzenesulfonamide
CID 110871302
(3S)-1-(benzenesulfonyl)-N,N-dimethylpyrrolidin-3-amine
CID 141202657
N-[(3S)-1-(benzenesulfonyl)pyrrolidin-3-yl]-1-phenylsulfanylcyclopropane-1-carboxamide
CID 11697033
4-(4-benzhydrylpiperazin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide
CID 25040590
4-(azepan-1-ylsulfonyl)-N-cyclohexylbenzenesulfonamide
CID 1167072
(3R)-1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidin-3-amine
CID 52872809
N-(1,2-dimethylpiperidin-4-yl)benzenesulfonamide
CID 79032927

Frequently Asked Questions

What is the IUPAC name of N-[1-(benzenesulfonyl)pyrrolidin-3-yl]benzenesulfonamide?
The IUPAC name of N-[1-(benzenesulfonyl)pyrrolidin-3-yl]benzenesulfonamide (CID 91241867) is N-[1-(benzenesulfonyl)pyrrolidin-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-(benzenesulfonyl)pyrrolidin-3-yl]benzenesulfonamide?
The canonical SMILES for N-[1-(benzenesulfonyl)pyrrolidin-3-yl]benzenesulfonamide is O=S(=O)(NC1CCN(S(=O)(=O)c2ccccc2)C1)c1ccccc1.
What is the InChIKey of N-[1-(benzenesulfonyl)pyrrolidin-3-yl]benzenesulfonamide?
The InChIKey is JSUUJAHMHGGFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S2/c19-23(20,15-7-3-1-4-8-15)17-14-11-12-18(13-14)24(21,22)16-9-5-2-6-10-16/h1-10,14,17H,11-13H2.
What are the key properties of N-[1-(benzenesulfonyl)pyrrolidin-3-yl]benzenesulfonamide?
N-[1-(benzenesulfonyl)pyrrolidin-3-yl]benzenesulfonamide has a molecular weight of 366.46 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzenesulfonyl)pyrrolidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 91241867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).