2-chloro-N-(2-ethylhexyl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide

C21H33ClN2O3S — CID 133166801

IUPAC2-chloro-N-(2-ethylhexyl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCCCCC(CC)CNC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1Cl
InChIInChI=1S/C21H33ClN2O3S/c1-4-6-7-17(5-2)15-23-21(25)19-14-18(8-9-20(19)22)28(26,27)24-12-10-16(3)11-13-24/h8-9,14,16-17H,4-7,10-13,15H2,1-3H3,(H,23,25)
InChIKeyQFIDEGJWYXPWTB-UHFFFAOYSA-N
MW429.03 g/mol
LogP4.71
Rot. Bonds9

About 2-chloro-N-(2-ethylhexyl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide

2-chloro-N-(2-ethylhexyl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 133166801) has the molecular formula C21H33ClN2O3S and a molecular weight of 429.03 g/mol. Its IUPAC name is 2-chloro-N-(2-ethylhexyl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(2-ethylhexyl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID133166801
Molecular FormulaC21H33ClN2O3S
Molecular Weight429.03 g/mol
Exact Mass428.19
IUPAC Name2-chloro-N-(2-ethylhexyl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCCCCC(CC)CNC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1Cl
InChIInChI=1S/C21H33ClN2O3S/c1-4-6-7-17(5-2)15-23-21(25)19-14-18(8-9-20(19)22)28(26,27)24-12-10-16(3)11-13-24/h8-9,14,16-17H,4-7,10-13,15H2,1-3H3,(H,23,25)
InChIKeyQFIDEGJWYXPWTB-UHFFFAOYSA-N
XLogP4.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.03
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(4-methylphenyl)methyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28591343
5-(azepan-1-ylsulfonyl)-N-butyl-2-chlorobenzamide
CID 28590824
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(2S)-2-ethylhexyl]benzamide
CID 8712887
2-chloro-N-(1-methoxypropan-2-yl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 43882765
2-chloro-N-cyclohexyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28591311
2-chloro-N-[1-(4-ethylphenyl)ethyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 133209970
N-(2-ethylhexyl)-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 133211188
5-(azepan-1-ylsulfonyl)-2-chloro-N-propylbenzamide
CID 28590823
2-chloro-N-[3-(3-methylpiperidin-1-yl)propyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 42961781
2-chloro-N-(2-methylphenyl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28591320
2-chloro-N-[3-(3-methylpiperidin-1-yl)propyl]-5-piperidin-1-ylsulfonylbenzamide
CID 46387433
[2-chloro-5-(4-methylpiperidin-1-yl)sulfonylphenyl]-(4-ethylpiperazin-1-yl)methanone
CID 28591390

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-ethylhexyl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of 2-chloro-N-(2-ethylhexyl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide (CID 133166801) is 2-chloro-N-(2-ethylhexyl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-(2-ethylhexyl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for 2-chloro-N-(2-ethylhexyl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide is CCCCC(CC)CNC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1Cl.
What is the InChIKey of 2-chloro-N-(2-ethylhexyl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is QFIDEGJWYXPWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33ClN2O3S/c1-4-6-7-17(5-2)15-23-21(25)19-14-18(8-9-20(19)22)28(26,27)24-12-10-16(3)11-13-24/h8-9,14,16-17H,4-7,10-13,15H2,1-3H3,(H,23,25).
What are the key properties of 2-chloro-N-(2-ethylhexyl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide?
2-chloro-N-(2-ethylhexyl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 429.03 g/mol, XLogP of 4.71, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-ethylhexyl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 133166801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).