2,6-dichloro-N-[1-(3-methylsulfonylpyrrolidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide

C14H18Cl2N2O5S2 — CID 90586861

IUPAC2,6-dichloro-N-[1-(3-methylsulfonylpyrrolidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)N1CCC(S(C)(=O)=O)C1
InChIInChI=1S/C14H18Cl2N2O5S2/c1-9(14(19)18-7-6-10(8-18)24(2,20)21)17-25(22,23)13-11(15)4-3-5-12(13)16/h3-5,9-10,17H,6-8H2,1-2H3
InChIKeySPXBFBPVFKIOPB-UHFFFAOYSA-N
MW429.35 g/mol
LogP1.31
Rot. Bonds5

About 2,6-dichloro-N-[1-(3-methylsulfonylpyrrolidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide

2,6-dichloro-N-[1-(3-methylsulfonylpyrrolidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide (PubChem CID 90586861) has the molecular formula C14H18Cl2N2O5S2 and a molecular weight of 429.35 g/mol. Its IUPAC name is 2,6-dichloro-N-[1-(3-methylsulfonylpyrrolidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-dichloro-N-[1-(3-methylsulfonylpyrrolidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
PubChem CID90586861
Molecular FormulaC14H18Cl2N2O5S2
Molecular Weight429.35 g/mol
Exact Mass428.00
IUPAC Name2,6-dichloro-N-[1-(3-methylsulfonylpyrrolidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)N1CCC(S(C)(=O)=O)C1
InChIInChI=1S/C14H18Cl2N2O5S2/c1-9(14(19)18-7-6-10(8-18)24(2,20)21)17-25(22,23)13-11(15)4-3-5-12(13)16/h3-5,9-10,17H,6-8H2,1-2H3
InChIKeySPXBFBPVFKIOPB-UHFFFAOYSA-N
XLogP1.31
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.35
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-difluoro-N-[3-methyl-1-(3-methylsulfonylpyrrolidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide
CID 90586881
3-chloro-4-fluoro-N-[1-(4-methylsulfonylpiperidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
CID 90586381
(3R)-N-(2-chlorophenyl)-3-methylsulfonylpyrrolidine-1-carboxamide
CID 97414951
(2R)-2-[(2,6-dichlorophenyl)sulfonylamino]propanoate
CID 6922951
2-fluoro-N-[3-methyl-1-(3-methylsulfonylpyrrolidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide
CID 90586856
2,6-difluoro-N-[2-(3-methylsulfonylpyrrolidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 90586879
1-(2,6-dichlorophenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90586568
2-[1-[2-[(2,6-dichlorophenyl)sulfonylamino]acetyl]piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592587
N-(3-chloro-4-methylsulfanylphenyl)-3-methylsulfonylpyrrolidine-1-carboxamide
CID 122159559
N-[1-[3-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-4-chlorobenzenesulfonamide
CID 119485391
1-[3-(2,6-dichlorophenyl)prop-2-enoyl]-N-propan-2-ylpyrrolidine-3-sulfonamide
CID 91943379
(4-chlorophenyl)-[(3S)-3-methylsulfonylpyrrolidin-1-yl]methanone
CID 97414892

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[1-(3-methylsulfonylpyrrolidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide?
The IUPAC name of 2,6-dichloro-N-[1-(3-methylsulfonylpyrrolidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide (CID 90586861) is 2,6-dichloro-N-[1-(3-methylsulfonylpyrrolidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2,6-dichloro-N-[1-(3-methylsulfonylpyrrolidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide?
The canonical SMILES for 2,6-dichloro-N-[1-(3-methylsulfonylpyrrolidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide is CC(NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)N1CCC(S(C)(=O)=O)C1.
What is the InChIKey of 2,6-dichloro-N-[1-(3-methylsulfonylpyrrolidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide?
The InChIKey is SPXBFBPVFKIOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O5S2/c1-9(14(19)18-7-6-10(8-18)24(2,20)21)17-25(22,23)13-11(15)4-3-5-12(13)16/h3-5,9-10,17H,6-8H2,1-2H3.
What are the key properties of 2,6-dichloro-N-[1-(3-methylsulfonylpyrrolidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide?
2,6-dichloro-N-[1-(3-methylsulfonylpyrrolidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide has a molecular weight of 429.35 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[1-(3-methylsulfonylpyrrolidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 90586861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).