N-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]ethenesulfonamide

C15H21ClN2O4S2 — CID 146211749

IUPACN-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]ethenesulfonamide
SMILESC=CS(=O)(=O)NCC1CCCN(S(=O)(=O)c2cccc(Cl)c2C)C1
InChIInChI=1S/C15H21ClN2O4S2/c1-3-23(19,20)17-10-13-6-5-9-18(11-13)24(21,22)15-8-4-7-14(16)12(15)2/h3-4,7-8,13,17H,1,5-6,9-11H2,2H3
InChIKeyWXZGTPIKTRDIIM-UHFFFAOYSA-N
MW392.93 g/mol
LogP2.11
Rot. Bonds6

About N-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]ethenesulfonamide

N-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]ethenesulfonamide (PubChem CID 146211749) has the molecular formula C15H21ClN2O4S2 and a molecular weight of 392.93 g/mol. Its IUPAC name is N-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]ethenesulfonamide.

Molecular Properties

Compound NameN-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]ethenesulfonamide
PubChem CID146211749
Molecular FormulaC15H21ClN2O4S2
Molecular Weight392.93 g/mol
Exact Mass392.06
IUPAC NameN-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]ethenesulfonamide
SMILESC=CS(=O)(=O)NCC1CCCN(S(=O)(=O)c2cccc(Cl)c2C)C1
InChIInChI=1S/C15H21ClN2O4S2/c1-3-23(19,20)17-10-13-6-5-9-18(11-13)24(21,22)15-8-4-7-14(16)12(15)2/h3-4,7-8,13,17H,1,5-6,9-11H2,2H3
InChIKeyWXZGTPIKTRDIIM-UHFFFAOYSA-N
XLogP2.11
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2,3-dichlorophenyl)sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146210402
1-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 63263835
N-[[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]ethenesulfonamide
CID 146211158
N-[[1-(2-chloro-4-cyanophenyl)sulfonylpiperidin-3-yl]methyl]ethenesulfonamide
CID 146211737
1-[[2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]acetyl]amino]piperidine-3-carboxylic acid
CID 69168763
1-[(3R)-1-(2-chloro-3-methylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 124688243
2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-N'-(4-chlorophenyl)acetohydrazide
CID 24957468
(1S)-1-[(3R)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 124678233
(3S)-1-(3-chloro-2-methylphenyl)sulfonyl-3-methylsulfonylpyrrolidine
CID 97354839
(3S)-1-(3-chloro-2-methylphenyl)sulfonyl-N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]piperidine-3-carboxamide
CID 58656350
5-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 90642090
N-[[(3S)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211982

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]ethenesulfonamide?
The IUPAC name of N-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]ethenesulfonamide (CID 146211749) is N-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]ethenesulfonamide.
What is the SMILES notation for N-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]ethenesulfonamide?
The canonical SMILES for N-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]ethenesulfonamide is C=CS(=O)(=O)NCC1CCCN(S(=O)(=O)c2cccc(Cl)c2C)C1.
What is the InChIKey of N-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]ethenesulfonamide?
The InChIKey is WXZGTPIKTRDIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O4S2/c1-3-23(19,20)17-10-13-6-5-9-18(11-13)24(21,22)15-8-4-7-14(16)12(15)2/h3-4,7-8,13,17H,1,5-6,9-11H2,2H3.
What are the key properties of N-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]ethenesulfonamide?
N-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]ethenesulfonamide has a molecular weight of 392.93 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]ethenesulfonamide is sourced from PubChem (CID 146211749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).