4-chloro-3-(dimethylsulfamoyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide

C14H21ClN2O5S — CID 55685378

IUPAC4-chloro-3-(dimethylsulfamoyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide
SMILESCOCCOCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C14H21ClN2O5S/c1-17(2)23(19,20)13-10-11(4-5-12(13)15)14(18)16-6-7-22-9-8-21-3/h4-5,10H,6-9H2,1-3H3,(H,16,18)
InChIKeyBTDASENQFWHLGI-UHFFFAOYSA-N
MW364.85 g/mol
LogP0.98
Rot. Bonds9

About 4-chloro-3-(dimethylsulfamoyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide

4-chloro-3-(dimethylsulfamoyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide (PubChem CID 55685378) has the molecular formula C14H21ClN2O5S and a molecular weight of 364.85 g/mol. Its IUPAC name is 4-chloro-3-(dimethylsulfamoyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-(dimethylsulfamoyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide
PubChem CID55685378
Molecular FormulaC14H21ClN2O5S
Molecular Weight364.85 g/mol
Exact Mass364.09
IUPAC Name4-chloro-3-(dimethylsulfamoyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide
SMILESCOCCOCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C14H21ClN2O5S/c1-17(2)23(19,20)13-10-11(4-5-12(13)15)14(18)16-6-7-22-9-8-21-3/h4-5,10H,6-9H2,1-3H3,(H,16,18)
InChIKeyBTDASENQFWHLGI-UHFFFAOYSA-N
XLogP0.98
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-4-chloro-3-(dimethylsulfamoyl)benzamide
CID 35709594
3-(dimethylsulfamoyl)-N-[2-(2-methoxyethoxy)ethyl]-4,5-dimethylbenzamide
CID 55685521
methyl 4-chloro-3-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylsulfamoyl]benzoate
CID 30872480
4-chloro-3-(dimethylsulfamoyl)-N-propan-2-ylbenzamide
CID 34234138
methyl (2R)-2-[[4-chloro-3-(dimethylsulfamoyl)benzoyl]amino]propanoate
CID 25484227
4-chloro-N-[(2,3-dimethoxyphenyl)methyl]-3-(dimethylsulfamoyl)benzamide
CID 55595810
3-(dimethylsulfamoyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-methylbenzamide
CID 110295892
4-chloro-3-(dimethylsulfamoyl)-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]benzamide
CID 55611853
4-chloro-3-(dimethylsulfamoyl)-N-(1-methylcyclopent-3-en-1-yl)benzamide
CID 127266645
N-[2-(2-methoxyethoxy)ethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55685287
3-(dimethylsulfamoyl)-4-methoxy-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 46562527
4-chloro-3-(dimethylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 27052704

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(dimethylsulfamoyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide?
The IUPAC name of 4-chloro-3-(dimethylsulfamoyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide (CID 55685378) is 4-chloro-3-(dimethylsulfamoyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide.
What is the SMILES notation for 4-chloro-3-(dimethylsulfamoyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide?
The canonical SMILES for 4-chloro-3-(dimethylsulfamoyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide is COCCOCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 4-chloro-3-(dimethylsulfamoyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide?
The InChIKey is BTDASENQFWHLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O5S/c1-17(2)23(19,20)13-10-11(4-5-12(13)15)14(18)16-6-7-22-9-8-21-3/h4-5,10H,6-9H2,1-3H3,(H,16,18).
What are the key properties of 4-chloro-3-(dimethylsulfamoyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide?
4-chloro-3-(dimethylsulfamoyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide has a molecular weight of 364.85 g/mol, XLogP of 0.98, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(dimethylsulfamoyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide is sourced from PubChem (CID 55685378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).