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

C11H16ClN3O3S — CID 106333004

IUPAC4-amino-3-chloro-N-[2-(dimethylsulfamoyl)ethyl]benzamide
SMILESCN(C)S(=O)(=O)CCNC(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C11H16ClN3O3S/c1-15(2)19(17,18)6-5-14-11(16)8-3-4-10(13)9(12)7-8/h3-4,7H,5-6,13H2,1-2H3,(H,14,16)
InChIKeyIPXKJOYHOSYDDB-UHFFFAOYSA-N
MW305.79 g/mol
LogP0.54
Rot. Bonds5

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

4-amino-3-chloro-N-[2-(dimethylsulfamoyl)ethyl]benzamide (PubChem CID 106333004) has the molecular formula C11H16ClN3O3S and a molecular weight of 305.79 g/mol. Its IUPAC name is 4-amino-3-chloro-N-[2-(dimethylsulfamoyl)ethyl]benzamide.

Molecular Properties

Compound Name4-amino-3-chloro-N-[2-(dimethylsulfamoyl)ethyl]benzamide
PubChem CID106333004
Molecular FormulaC11H16ClN3O3S
Molecular Weight305.79 g/mol
Exact Mass305.06
IUPAC Name4-amino-3-chloro-N-[2-(dimethylsulfamoyl)ethyl]benzamide
SMILESCN(C)S(=O)(=O)CCNC(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C11H16ClN3O3S/c1-15(2)19(17,18)6-5-14-11(16)8-3-4-10(13)9(12)7-8/h3-4,7H,5-6,13H2,1-2H3,(H,14,16)
InChIKeyIPXKJOYHOSYDDB-UHFFFAOYSA-N
XLogP0.54
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-3-chloro-N-[2-(dimethylsulfamoyl)ethyl]benzamide
CID 114175557
4-amino-N-[2-(dimethylsulfamoyl)ethyl]-3-methoxybenzamide
CID 106333049
2-amino-N-[2-(dimethylsulfamoyl)ethyl]pyridine-4-carboxamide
CID 106342687
4-amino-N-butyl-3-chlorobenzamide
CID 59763688
4-[2-(dimethylsulfamoyl)ethylcarbamoyl]benzoic acid
CID 106341849
6-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-3-carboxamide
CID 114175120
4-amino-3-chloro-N-(2-pyrrol-1-ylethyl)benzamide
CID 114182714
2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-5-hydroxybenzamide
CID 106339733
4-amino-3-chloro-N',N'-dimethylbenzohydrazide
CID 83013508
4-amino-3-chloro-N-(5-methylhexyl)benzamide
CID 115325439
4-amino-3-methyl-N-(2-methylsulfonylethyl)benzamide
CID 54932022
4-amino-3-chloro-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 79858160

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-N-[2-(dimethylsulfamoyl)ethyl]benzamide?
The IUPAC name of 4-amino-3-chloro-N-[2-(dimethylsulfamoyl)ethyl]benzamide (CID 106333004) is 4-amino-3-chloro-N-[2-(dimethylsulfamoyl)ethyl]benzamide.
What is the SMILES notation for 4-amino-3-chloro-N-[2-(dimethylsulfamoyl)ethyl]benzamide?
The canonical SMILES for 4-amino-3-chloro-N-[2-(dimethylsulfamoyl)ethyl]benzamide is CN(C)S(=O)(=O)CCNC(=O)c1ccc(N)c(Cl)c1.
What is the InChIKey of 4-amino-3-chloro-N-[2-(dimethylsulfamoyl)ethyl]benzamide?
The InChIKey is IPXKJOYHOSYDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O3S/c1-15(2)19(17,18)6-5-14-11(16)8-3-4-10(13)9(12)7-8/h3-4,7H,5-6,13H2,1-2H3,(H,14,16).
What are the key properties of 4-amino-3-chloro-N-[2-(dimethylsulfamoyl)ethyl]benzamide?
4-amino-3-chloro-N-[2-(dimethylsulfamoyl)ethyl]benzamide has a molecular weight of 305.79 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-N-[2-(dimethylsulfamoyl)ethyl]benzamide is sourced from PubChem (CID 106333004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).