N-(2-chloro-4,5-dimethoxyphenyl)-2-ethylsulfonylbenzamide

C17H18ClNO5S — CID 24684132

IUPACN-(2-chloro-4,5-dimethoxyphenyl)-2-ethylsulfonylbenzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)Nc1cc(OC)c(OC)cc1Cl
InChIInChI=1S/C17H18ClNO5S/c1-4-25(21,22)16-8-6-5-7-11(16)17(20)19-13-10-15(24-3)14(23-2)9-12(13)18/h5-10H,4H2,1-3H3,(H,19,20)
InChIKeyHCVCWDABGXZPAC-UHFFFAOYSA-N
MW383.85 g/mol
LogP3.40
Rot. Bonds6

About N-(2-chloro-4,5-dimethoxyphenyl)-2-ethylsulfonylbenzamide

N-(2-chloro-4,5-dimethoxyphenyl)-2-ethylsulfonylbenzamide (PubChem CID 24684132) has the molecular formula C17H18ClNO5S and a molecular weight of 383.85 g/mol. Its IUPAC name is N-(2-chloro-4,5-dimethoxyphenyl)-2-ethylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-chloro-4,5-dimethoxyphenyl)-2-ethylsulfonylbenzamide
PubChem CID24684132
Molecular FormulaC17H18ClNO5S
Molecular Weight383.85 g/mol
Exact Mass383.06
IUPAC NameN-(2-chloro-4,5-dimethoxyphenyl)-2-ethylsulfonylbenzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)Nc1cc(OC)c(OC)cc1Cl
InChIInChI=1S/C17H18ClNO5S/c1-4-25(21,22)16-8-6-5-7-11(16)17(20)19-13-10-15(24-3)14(23-2)9-12(13)18/h5-10H,4H2,1-3H3,(H,19,20)
InChIKeyHCVCWDABGXZPAC-UHFFFAOYSA-N
XLogP3.40
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.85
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-ethylsulfonylbenzamide
CID 7603183
N-(2-chloro-4,5-dimethoxyphenyl)-2-ethoxybenzamide
CID 30804314
2-ethylsulfonyl-N-(2-methoxy-5-nitrophenyl)benzamide
CID 7578693
2-hydroxy-3-methoxy-N-(2,4,5-trichlorophenyl)benzamide
CID 29286272
N-(2,5-diethoxyphenyl)-2-ethylsulfonylbenzamide
CID 33182974
N-(5-acetamido-2-chlorophenyl)-2-propylsulfonylbenzamide
CID 55916096
4-acetamido-5-chloro-N-(2-ethylphenyl)-2-methoxybenzamide
CID 17257106
2-bromo-N-(2-chloro-4,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 103754076
N-(2,5-dichloro-4-methylphenyl)-2-hydroxy-3-methoxybenzamide
CID 115761010
N-(2-chloro-4,5-dimethoxyphenyl)-2,5-difluorobenzamide
CID 18139978
methyl 2-[(4-acetamido-5-chloro-2-methoxybenzoyl)amino]benzoate
CID 2988921
4-chloro-N-methyl-N-propan-2-yl-3-[(2-propylsulfonylbenzoyl)amino]benzamide
CID 52845031

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,5-dimethoxyphenyl)-2-ethylsulfonylbenzamide?
The IUPAC name of N-(2-chloro-4,5-dimethoxyphenyl)-2-ethylsulfonylbenzamide (CID 24684132) is N-(2-chloro-4,5-dimethoxyphenyl)-2-ethylsulfonylbenzamide.
What is the SMILES notation for N-(2-chloro-4,5-dimethoxyphenyl)-2-ethylsulfonylbenzamide?
The canonical SMILES for N-(2-chloro-4,5-dimethoxyphenyl)-2-ethylsulfonylbenzamide is CCS(=O)(=O)c1ccccc1C(=O)Nc1cc(OC)c(OC)cc1Cl.
What is the InChIKey of N-(2-chloro-4,5-dimethoxyphenyl)-2-ethylsulfonylbenzamide?
The InChIKey is HCVCWDABGXZPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO5S/c1-4-25(21,22)16-8-6-5-7-11(16)17(20)19-13-10-15(24-3)14(23-2)9-12(13)18/h5-10H,4H2,1-3H3,(H,19,20).
What are the key properties of N-(2-chloro-4,5-dimethoxyphenyl)-2-ethylsulfonylbenzamide?
N-(2-chloro-4,5-dimethoxyphenyl)-2-ethylsulfonylbenzamide has a molecular weight of 383.85 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,5-dimethoxyphenyl)-2-ethylsulfonylbenzamide is sourced from PubChem (CID 24684132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).