2-chloro-N-(2-ethylhexyl)-4-(methanesulfonamido)benzamide

C16H25ClN2O3S — CID 133239724

IUPAC2-chloro-N-(2-ethylhexyl)-4-(methanesulfonamido)benzamide
SMILESCCCCC(CC)CNC(=O)c1ccc(NS(C)(=O)=O)cc1Cl
InChIInChI=1S/C16H25ClN2O3S/c1-4-6-7-12(5-2)11-18-16(20)14-9-8-13(10-15(14)17)19-23(3,21)22/h8-10,12,19H,4-7,11H2,1-3H3,(H,18,20)
InChIKeyQEBZXWSAMOTKFV-UHFFFAOYSA-N
MW360.91 g/mol
LogP3.66
Rot. Bonds9

About 2-chloro-N-(2-ethylhexyl)-4-(methanesulfonamido)benzamide

2-chloro-N-(2-ethylhexyl)-4-(methanesulfonamido)benzamide (PubChem CID 133239724) has the molecular formula C16H25ClN2O3S and a molecular weight of 360.91 g/mol. Its IUPAC name is 2-chloro-N-(2-ethylhexyl)-4-(methanesulfonamido)benzamide.

Molecular Properties

Compound Name2-chloro-N-(2-ethylhexyl)-4-(methanesulfonamido)benzamide
PubChem CID133239724
Molecular FormulaC16H25ClN2O3S
Molecular Weight360.91 g/mol
Exact Mass360.13
IUPAC Name2-chloro-N-(2-ethylhexyl)-4-(methanesulfonamido)benzamide
SMILESCCCCC(CC)CNC(=O)c1ccc(NS(C)(=O)=O)cc1Cl
InChIInChI=1S/C16H25ClN2O3S/c1-4-6-7-12(5-2)11-18-16(20)14-9-8-13(10-15(14)17)19-23(3,21)22/h8-10,12,19H,4-7,11H2,1-3H3,(H,18,20)
InChIKeyQEBZXWSAMOTKFV-UHFFFAOYSA-N
XLogP3.66
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.91
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(2S)-2-ethylhexyl]-4-nitrobenzamide
CID 2286765
3-chloro-N-(2-ethylhexyl)pyridine-4-carboxamide
CID 66482967
2-chloro-N-(3-ethoxypropyl)-4-(methanesulfonamido)benzamide
CID 92686029
2-chloro-4-(methanesulfonamido)-N-(2-methoxyethyl)benzamide
CID 38003506
2-chloro-N-[2-(dimethylamino)ethyl]-4-(methanesulfonamido)benzamide
CID 43908500
5-chloro-N-(2-ethylhexyl)-2-hydroxybenzamide
CID 14692803
2-chloro-4-(methanesulfonamido)-N-(1-phenylpropyl)benzamide
CID 43876402
2,4-dichloro-N-(2-ethylbutyl)benzamide
CID 84513268
2,4-dichloro-N-(4-chloro-2-ethylbutyl)benzamide
CID 113273748
1-N,5-N-didodecyl-2-N,4-N-bis(2-ethylhexyl)benzene-1,2,4,5-tetracarboxamide
CID 122598400
2-N,4-N-bis(2-ethylhexyl)-5-N-heptadecyl-1-N-octadecylbenzene-1,2,4,5-tetracarboxamide
CID 146329871
N-[(2S)-2-ethylhexyl]-2-iodo-4-methylbenzamide
CID 100527557

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-ethylhexyl)-4-(methanesulfonamido)benzamide?
The IUPAC name of 2-chloro-N-(2-ethylhexyl)-4-(methanesulfonamido)benzamide (CID 133239724) is 2-chloro-N-(2-ethylhexyl)-4-(methanesulfonamido)benzamide.
What is the SMILES notation for 2-chloro-N-(2-ethylhexyl)-4-(methanesulfonamido)benzamide?
The canonical SMILES for 2-chloro-N-(2-ethylhexyl)-4-(methanesulfonamido)benzamide is CCCCC(CC)CNC(=O)c1ccc(NS(C)(=O)=O)cc1Cl.
What is the InChIKey of 2-chloro-N-(2-ethylhexyl)-4-(methanesulfonamido)benzamide?
The InChIKey is QEBZXWSAMOTKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O3S/c1-4-6-7-12(5-2)11-18-16(20)14-9-8-13(10-15(14)17)19-23(3,21)22/h8-10,12,19H,4-7,11H2,1-3H3,(H,18,20).
What are the key properties of 2-chloro-N-(2-ethylhexyl)-4-(methanesulfonamido)benzamide?
2-chloro-N-(2-ethylhexyl)-4-(methanesulfonamido)benzamide has a molecular weight of 360.91 g/mol, XLogP of 3.66, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-ethylhexyl)-4-(methanesulfonamido)benzamide is sourced from PubChem (CID 133239724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).