N,N-diethyl-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide

C14H22N2O4S2 — CID 859908

IUPACN,N-diethyl-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C14H22N2O4S2/c1-3-15(4-2)21(17,18)13-7-9-14(10-8-13)22(19,20)16-11-5-6-12-16/h7-10H,3-6,11-12H2,1-2H3
InChIKeyHEGPSOHCOKRTIB-UHFFFAOYSA-N
MW346.47 g/mol
LogP1.50
Rot. Bonds6

About N,N-diethyl-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide

N,N-diethyl-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide (PubChem CID 859908) has the molecular formula C14H22N2O4S2 and a molecular weight of 346.47 g/mol. Its IUPAC name is N,N-diethyl-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
PubChem CID859908
Molecular FormulaC14H22N2O4S2
Molecular Weight346.47 g/mol
Exact Mass346.10
IUPAC NameN,N-diethyl-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C14H22N2O4S2/c1-3-15(4-2)21(17,18)13-7-9-14(10-8-13)22(19,20)16-11-5-6-12-16/h7-10H,3-6,11-12H2,1-2H3
InChIKeyHEGPSOHCOKRTIB-UHFFFAOYSA-N
XLogP1.50
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Fluorobenzenesulfonyl)pyrrolidine
CID 796578
N,N-Diethylbenzenesulfonamide
CID 74367
n,n-Dibutylbenzenesulfonamide
CID 220596
1-[4-(Pyrrolidine-1-sulfonyl)-benzenesulfonyl]-piperidine
CID 1166875
4-Methyl-1-[4-(pyrrolidine-1-sulfonyl)-benzenesulfonyl]-piperidine
CID 1166972
N-butyl-N-ethylbenzenesulfonamide
CID 2164635
1-(Phenylsulfonyl)pyrrolidine
CID 246138
N-Butyl-3-(pyrrolidine-1-sulfonyl)-benzenesulfonamide
CID 645283
N-Cyclopropyl-3-(pyrrolidine-1-sulfonyl)-benzenesulfonamide
CID 647250
N-Cyclopropylmethyl-3-(pyrrolidine-1-sulfonyl)-benzenesulfonamide
CID 652432
N-(cyclopropylmethyl)-N-propylbenzene-1,4-disulfonamide
CID 717987
N-[bis(diisopropylamino)-lambda~4~-sulfanylidene]benzenesulfonamide
CID 2830960

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
The IUPAC name of N,N-diethyl-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide (CID 859908) is N,N-diethyl-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N,N-diethyl-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
The InChIKey is HEGPSOHCOKRTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S2/c1-3-15(4-2)21(17,18)13-7-9-14(10-8-13)22(19,20)16-11-5-6-12-16/h7-10H,3-6,11-12H2,1-2H3.
What are the key properties of N,N-diethyl-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
N,N-diethyl-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide has a molecular weight of 346.47 g/mol, XLogP of 1.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide is sourced from PubChem (CID 859908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).