2,4,6-trichloro-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide

C14H19Cl3N2O3S — CID 56514036

IUPAC2,4,6-trichloro-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide
SMILESCOCCN1CCCC1CNS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl3N2O3S/c1-22-6-5-19-4-2-3-11(19)9-18-23(20,21)14-12(16)7-10(15)8-13(14)17/h7-8,11,18H,2-6,9H2,1H3
InChIKeyJRKGEXNLCHEPCL-UHFFFAOYSA-N
MW401.74 g/mol
LogP3.04
Rot. Bonds7

About 2,4,6-trichloro-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide

2,4,6-trichloro-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide (PubChem CID 56514036) has the molecular formula C14H19Cl3N2O3S and a molecular weight of 401.74 g/mol. Its IUPAC name is 2,4,6-trichloro-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trichloro-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide
PubChem CID56514036
Molecular FormulaC14H19Cl3N2O3S
Molecular Weight401.74 g/mol
Exact Mass400.02
IUPAC Name2,4,6-trichloro-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide
SMILESCOCCN1CCCC1CNS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl3N2O3S/c1-22-6-5-19-4-2-3-11(19)9-18-23(20,21)14-12(16)7-10(15)8-13(14)17/h7-8,11,18H,2-6,9H2,1H3
InChIKeyJRKGEXNLCHEPCL-UHFFFAOYSA-N
XLogP3.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.74
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 56512850
2,5-difluoro-N-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide
CID 94825248
2,5-difluoro-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide
CID 94825249
2,5-dibromo-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide
CID 56513113
N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]isoquinoline-5-sulfonamide
CID 99816349
3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide
CID 15167696
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide
CID 8025540
4-amino-2,6-dibromo-N-[(1-ethylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 43257821
4-chloro-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-nitrobenzamide
CID 95285833
N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-methylsulfonylbenzamide
CID 95271489
N-methyl-1-[1-(2,4,6-trichlorophenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 115316522
[1-(2-methoxyethyl)pyrrolidin-2-yl]methanol;sulfane
CID 159917406

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 2,4,6-trichloro-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide (CID 56514036) is 2,4,6-trichloro-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trichloro-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trichloro-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide is COCCN1CCCC1CNS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2,4,6-trichloro-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide?
The InChIKey is JRKGEXNLCHEPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl3N2O3S/c1-22-6-5-19-4-2-3-11(19)9-18-23(20,21)14-12(16)7-10(15)8-13(14)17/h7-8,11,18H,2-6,9H2,1H3.
What are the key properties of 2,4,6-trichloro-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide?
2,4,6-trichloro-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide has a molecular weight of 401.74 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 56514036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).