2-chloro-N-[2-(2-methylpiperidin-1-yl)ethyl]-5-pyrrolidin-1-ylsulfonylbenzamide

C19H28ClN3O3S — CID 46387400

IUPAC2-chloro-N-[2-(2-methylpiperidin-1-yl)ethyl]-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESCC1CCCCN1CCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl
InChIInChI=1S/C19H28ClN3O3S/c1-15-6-2-3-10-22(15)13-9-21-19(24)17-14-16(7-8-18(17)20)27(25,26)23-11-4-5-12-23/h7-8,14-15H,2-6,9-13H2,1H3,(H,21,24)
InChIKeyYWZNYNJDQGSVGC-UHFFFAOYSA-N
MW413.97 g/mol
LogP2.73
Rot. Bonds6

About 2-chloro-N-[2-(2-methylpiperidin-1-yl)ethyl]-5-pyrrolidin-1-ylsulfonylbenzamide

2-chloro-N-[2-(2-methylpiperidin-1-yl)ethyl]-5-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 46387400) has the molecular formula C19H28ClN3O3S and a molecular weight of 413.97 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-methylpiperidin-1-yl)ethyl]-5-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2-methylpiperidin-1-yl)ethyl]-5-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID46387400
Molecular FormulaC19H28ClN3O3S
Molecular Weight413.97 g/mol
Exact Mass413.15
IUPAC Name2-chloro-N-[2-(2-methylpiperidin-1-yl)ethyl]-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESCC1CCCCN1CCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl
InChIInChI=1S/C19H28ClN3O3S/c1-15-6-2-3-10-22(15)13-9-21-19(24)17-14-16(7-8-18(17)20)27(25,26)23-11-4-5-12-23/h7-8,14-15H,2-6,9-13H2,1H3,(H,21,24)
InChIKeyYWZNYNJDQGSVGC-UHFFFAOYSA-N
XLogP2.73
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.97
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]benzamide
CID 55723665
2-chloro-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-5-piperidin-1-ylsulfonylbenzamide
CID 92882504
2-chloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 9473189
5-(azepan-1-ylsulfonyl)-2-chloro-N-propylbenzamide
CID 28590823
2-chloro-5-[methoxy(methyl)sulfamoyl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9473795
5-(azepan-1-ylsulfonyl)-2-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 46387509
2-chloro-N-[3-(3-methylpiperidin-1-yl)propyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 42961781
2-chloro-N-(2-cyclopentylsulfanylethyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 32542151
2-chloro-N-[3-(3-methylpiperidin-1-yl)propyl]-5-piperidin-1-ylsulfonylbenzamide
CID 46387433
5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-methoxyethyl)benzamide
CID 46387480
5-(azepan-1-ylsulfonyl)-N-butyl-2-chlorobenzamide
CID 28590824
2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide
CID 50768018

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-methylpiperidin-1-yl)ethyl]-5-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-[2-(2-methylpiperidin-1-yl)ethyl]-5-pyrrolidin-1-ylsulfonylbenzamide (CID 46387400) is 2-chloro-N-[2-(2-methylpiperidin-1-yl)ethyl]-5-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-[2-(2-methylpiperidin-1-yl)ethyl]-5-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-[2-(2-methylpiperidin-1-yl)ethyl]-5-pyrrolidin-1-ylsulfonylbenzamide is CC1CCCCN1CCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(2-methylpiperidin-1-yl)ethyl]-5-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is YWZNYNJDQGSVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O3S/c1-15-6-2-3-10-22(15)13-9-21-19(24)17-14-16(7-8-18(17)20)27(25,26)23-11-4-5-12-23/h7-8,14-15H,2-6,9-13H2,1H3,(H,21,24).
What are the key properties of 2-chloro-N-[2-(2-methylpiperidin-1-yl)ethyl]-5-pyrrolidin-1-ylsulfonylbenzamide?
2-chloro-N-[2-(2-methylpiperidin-1-yl)ethyl]-5-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 413.97 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2-methylpiperidin-1-yl)ethyl]-5-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 46387400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).