N,4-diethyl-N-pyrrolidin-3-ylbenzenesulfonamide

C14H22N2O2S — CID 55205527

IUPACN,4-diethyl-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N(CC)C2CCNC2)cc1
InChIInChI=1S/C14H22N2O2S/c1-3-12-5-7-14(8-6-12)19(17,18)16(4-2)13-9-10-15-11-13/h5-8,13,15H,3-4,9-11H2,1-2H3
InChIKeyYFXVHKPMGCJOBZ-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.62
Rot. Bonds5

About N,4-diethyl-N-pyrrolidin-3-ylbenzenesulfonamide

N,4-diethyl-N-pyrrolidin-3-ylbenzenesulfonamide (PubChem CID 55205527) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N,4-diethyl-N-pyrrolidin-3-ylbenzenesulfonamide.

Molecular Properties

Compound NameN,4-diethyl-N-pyrrolidin-3-ylbenzenesulfonamide
PubChem CID55205527
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN,4-diethyl-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N(CC)C2CCNC2)cc1
InChIInChI=1S/C14H22N2O2S/c1-3-12-5-7-14(8-6-12)19(17,18)16(4-2)13-9-10-15-11-13/h5-8,13,15H,3-4,9-11H2,1-2H3
InChIKeyYFXVHKPMGCJOBZ-UHFFFAOYSA-N
XLogP1.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 60806159
4-chloro-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299171
4-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299749
N-ethyl-N-pyrrolidin-3-yl-4-(trifluoromethyl)benzenesulfonamide
CID 63299124
N-ethyl-4-propoxy-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299303
N-methyl-4-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55136438
N-(azetidin-3-yl)-N-ethyl-4-methylsulfonylbenzenesulfonamide
CID 66184477
N-(azetidin-3-yl)-N-ethyl-4-iodobenzenesulfonamide
CID 66183635
N-ethyl-3,4-dimethyl-N-piperidin-3-ylbenzenesulfonamide
CID 60807373
4-ethyl-N-piperidin-4-yl-N-[3-(1,2,4-triazol-4-yl)propyl]benzenesulfonamide
CID 70653674
N-ethyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide
CID 63299353
4-[(dimethylamino)methyl]-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 120875073

Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The IUPAC name of N,4-diethyl-N-pyrrolidin-3-ylbenzenesulfonamide (CID 55205527) is N,4-diethyl-N-pyrrolidin-3-ylbenzenesulfonamide.
What is the SMILES notation for N,4-diethyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The canonical SMILES for N,4-diethyl-N-pyrrolidin-3-ylbenzenesulfonamide is CCc1ccc(S(=O)(=O)N(CC)C2CCNC2)cc1.
What is the InChIKey of N,4-diethyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The InChIKey is YFXVHKPMGCJOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-12-5-7-14(8-6-12)19(17,18)16(4-2)13-9-10-15-11-13/h5-8,13,15H,3-4,9-11H2,1-2H3.
What are the key properties of N,4-diethyl-N-pyrrolidin-3-ylbenzenesulfonamide?
N,4-diethyl-N-pyrrolidin-3-ylbenzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-N-pyrrolidin-3-ylbenzenesulfonamide is sourced from PubChem (CID 55205527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).