N-[[1-(2,3-dichlorophenyl)sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide

C13H16Cl2N2O4S2 — CID 146210402

IUPACN-[[1-(2,3-dichlorophenyl)sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
SMILESC=CS(=O)(=O)NCC1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)C1
InChIInChI=1S/C13H16Cl2N2O4S2/c1-2-22(18,19)16-8-10-6-7-17(9-10)23(20,21)12-5-3-4-11(14)13(12)15/h2-5,10,16H,1,6-9H2
InChIKeyWPWNMPSAZLXYCH-UHFFFAOYSA-N
MW399.32 g/mol
LogP2.07
Rot. Bonds6

About N-[[1-(2,3-dichlorophenyl)sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide

N-[[1-(2,3-dichlorophenyl)sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide (PubChem CID 146210402) has the molecular formula C13H16Cl2N2O4S2 and a molecular weight of 399.32 g/mol. Its IUPAC name is N-[[1-(2,3-dichlorophenyl)sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide.

Molecular Properties

Compound NameN-[[1-(2,3-dichlorophenyl)sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
PubChem CID146210402
Molecular FormulaC13H16Cl2N2O4S2
Molecular Weight399.32 g/mol
Exact Mass397.99
IUPAC NameN-[[1-(2,3-dichlorophenyl)sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
SMILESC=CS(=O)(=O)NCC1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)C1
InChIInChI=1S/C13H16Cl2N2O4S2/c1-2-22(18,19)16-8-10-6-7-17(9-10)23(20,21)12-5-3-4-11(14)13(12)15/h2-5,10,16H,1,6-9H2
InChIKeyWPWNMPSAZLXYCH-UHFFFAOYSA-N
XLogP2.07
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]ethenesulfonamide
CID 146211749
N-[[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146210607
N-[[(3R)-1-[3-(hydroxyamino)phenyl]sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211907
N-[[1-(2-chloro-4-cyanophenyl)sulfonylpiperidin-3-yl]methyl]ethenesulfonamide
CID 146211737
N-[[(3S)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211982
N-[[(3R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211401
N-(cyclopropylmethyl)-1-(2,3-dichlorophenyl)sulfonylpiperidin-4-amine
CID 119987433
1-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 63263835
N-[[1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211846
1-[1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 63263968
2-(3,4-dichlorophenyl)-N-[[4-[(3R)-3-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonylphenyl]methyl]acetamide
CID 146210794
N-[[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]ethenesulfonamide
CID 146211158

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-dichlorophenyl)sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide?
The IUPAC name of N-[[1-(2,3-dichlorophenyl)sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide (CID 146210402) is N-[[1-(2,3-dichlorophenyl)sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide.
What is the SMILES notation for N-[[1-(2,3-dichlorophenyl)sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide?
The canonical SMILES for N-[[1-(2,3-dichlorophenyl)sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide is C=CS(=O)(=O)NCC1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)C1.
What is the InChIKey of N-[[1-(2,3-dichlorophenyl)sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide?
The InChIKey is WPWNMPSAZLXYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O4S2/c1-2-22(18,19)16-8-10-6-7-17(9-10)23(20,21)12-5-3-4-11(14)13(12)15/h2-5,10,16H,1,6-9H2.
What are the key properties of N-[[1-(2,3-dichlorophenyl)sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide?
N-[[1-(2,3-dichlorophenyl)sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide has a molecular weight of 399.32 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,3-dichlorophenyl)sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide is sourced from PubChem (CID 146210402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).