N,N-diethyl-3-(3-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide

C20H31N3O3S — CID 60559058

IUPACN,N-diethyl-3-(3-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCCC(N3CCCC3)C2)c1
InChIInChI=1S/C20H31N3O3S/c1-3-23(4-2)27(25,26)19-11-7-9-17(15-19)20(24)22-14-8-10-18(16-22)21-12-5-6-13-21/h7,9,11,15,18H,3-6,8,10,12-14,16H2,1-2H3
InChIKeyBAHZHJOEFYIOQQ-UHFFFAOYSA-N
MW393.55 g/mol
LogP2.42
Rot. Bonds6

About N,N-diethyl-3-(3-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide

N,N-diethyl-3-(3-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide (PubChem CID 60559058) has the molecular formula C20H31N3O3S and a molecular weight of 393.55 g/mol. Its IUPAC name is N,N-diethyl-3-(3-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-3-(3-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide
PubChem CID60559058
Molecular FormulaC20H31N3O3S
Molecular Weight393.55 g/mol
Exact Mass393.21
IUPAC NameN,N-diethyl-3-(3-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCCC(N3CCCC3)C2)c1
InChIInChI=1S/C20H31N3O3S/c1-3-23(4-2)27(25,26)19-11-7-9-17(15-19)20(24)22-14-8-10-18(16-22)21-12-5-6-13-21/h7,9,11,15,18H,3-6,8,10,12-14,16H2,1-2H3
InChIKeyBAHZHJOEFYIOQQ-UHFFFAOYSA-N
XLogP2.42
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[3-(diethylsulfamoyl)benzoyl]piperidine-3-carboxylate
CID 46684274
N,N-diethyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119396973
3-[(3R)-3-(ethoxymethyl)piperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide
CID 95378592
3-[(3S)-3-(ethoxymethyl)piperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide
CID 95378591
N-(4-chlorophenyl)-1-[3-(diethylsulfamoyl)benzoyl]piperidine-3-carboxamide
CID 71681722
3-(4-benzoylpiperidine-1-carbonyl)-N,N-diethylbenzenesulfonamide
CID 18143310
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(3-bromophenyl)methanone
CID 49224623
3-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-N-(2,6-difluorophenyl)benzenesulfonamide
CID 46851142
3-(1,4-diazepane-1-carbonyl)-N,N-diethylbenzenesulfonamide;hydrochloride
CID 119416501
(3-fluorophenyl)-[(3R)-3-pyrrolidin-1-ylazepan-1-yl]methanone
CID 95333696
N,N-diethyl-3-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 43073522
azetidin-1-yl-[3-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]sulfonylphenyl]methanone
CID 99940561

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(3-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N,N-diethyl-3-(3-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide (CID 60559058) is N,N-diethyl-3-(3-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-3-(3-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N,N-diethyl-3-(3-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCCC(N3CCCC3)C2)c1.
What is the InChIKey of N,N-diethyl-3-(3-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is BAHZHJOEFYIOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3S/c1-3-23(4-2)27(25,26)19-11-7-9-17(15-19)20(24)22-14-8-10-18(16-22)21-12-5-6-13-21/h7,9,11,15,18H,3-6,8,10,12-14,16H2,1-2H3.
What are the key properties of N,N-diethyl-3-(3-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide?
N,N-diethyl-3-(3-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 393.55 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(3-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 60559058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).