3-chloro-N-[2-(ethylsulfamoyl)ethyl]-2-methylpropanamide

C8H17ClN2O3S — CID 106335463

IUPAC3-chloro-N-[2-(ethylsulfamoyl)ethyl]-2-methylpropanamide
SMILESCCNS(=O)(=O)CCNC(=O)C(C)CCl
InChIInChI=1S/C8H17ClN2O3S/c1-3-11-15(13,14)5-4-10-8(12)7(2)6-9/h7,11H,3-6H2,1-2H3,(H,10,12)
InChIKeyRUKJVAXEPOUMJA-UHFFFAOYSA-N
MW256.75 g/mol
LogP-0.08
Rot. Bonds7

About 3-chloro-N-[2-(ethylsulfamoyl)ethyl]-2-methylpropanamide

3-chloro-N-[2-(ethylsulfamoyl)ethyl]-2-methylpropanamide (PubChem CID 106335463) has the molecular formula C8H17ClN2O3S and a molecular weight of 256.75 g/mol. Its IUPAC name is 3-chloro-N-[2-(ethylsulfamoyl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound Name3-chloro-N-[2-(ethylsulfamoyl)ethyl]-2-methylpropanamide
PubChem CID106335463
Molecular FormulaC8H17ClN2O3S
Molecular Weight256.75 g/mol
Exact Mass256.06
IUPAC Name3-chloro-N-[2-(ethylsulfamoyl)ethyl]-2-methylpropanamide
SMILESCCNS(=O)(=O)CCNC(=O)C(C)CCl
InChIInChI=1S/C8H17ClN2O3S/c1-3-11-15(13,14)5-4-10-8(12)7(2)6-9/h7,11H,3-6H2,1-2H3,(H,10,12)
InChIKeyRUKJVAXEPOUMJA-UHFFFAOYSA-N
XLogP-0.08
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.75
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(ethylsulfamoyl)ethylcarbamoylamino]-2-methylpropanoic acid
CID 106340861
2-amino-N-[2-(ethylsulfamoyl)ethyl]propanamide
CID 103796449
(2S)-2-amino-N-[2-(ethylsulfamoyl)ethyl]-3-methylpentanamide
CID 103833076
N-[2-(ethylsulfamoyl)ethyl]-3-methyl-2-sulfanylbutanamide
CID 106340115
3-chloro-N-[2-(methanesulfonamido)ethyl]-2-methylpropanamide
CID 62728659
2-(butan-2-ylamino)-N-[2-(ethylsulfamoyl)ethyl]acetamide
CID 114175247
3-chloro-2-methyl-N-(3-methylsulfonylpropyl)propanamide
CID 62726649
N-[2-(ethylsulfamoyl)ethyl]-4-hydroxypentanamide
CID 106342894
2-bromo-N-[2-(ethylsulfamoyl)ethyl]acetamide
CID 106335462
2-amino-N-[2-(ethylsulfamoyl)ethyl]hexanamide
CID 103832741
N-ethyl-2-(2-methylpropylamino)ethanesulfonamide
CID 115876342
6-amino-4-ethyl-N-[2-(ethylsulfamoyl)ethyl]hexanamide
CID 106337136

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(ethylsulfamoyl)ethyl]-2-methylpropanamide?
The IUPAC name of 3-chloro-N-[2-(ethylsulfamoyl)ethyl]-2-methylpropanamide (CID 106335463) is 3-chloro-N-[2-(ethylsulfamoyl)ethyl]-2-methylpropanamide.
What is the SMILES notation for 3-chloro-N-[2-(ethylsulfamoyl)ethyl]-2-methylpropanamide?
The canonical SMILES for 3-chloro-N-[2-(ethylsulfamoyl)ethyl]-2-methylpropanamide is CCNS(=O)(=O)CCNC(=O)C(C)CCl.
What is the InChIKey of 3-chloro-N-[2-(ethylsulfamoyl)ethyl]-2-methylpropanamide?
The InChIKey is RUKJVAXEPOUMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClN2O3S/c1-3-11-15(13,14)5-4-10-8(12)7(2)6-9/h7,11H,3-6H2,1-2H3,(H,10,12).
What are the key properties of 3-chloro-N-[2-(ethylsulfamoyl)ethyl]-2-methylpropanamide?
3-chloro-N-[2-(ethylsulfamoyl)ethyl]-2-methylpropanamide has a molecular weight of 256.75 g/mol, XLogP of -0.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(ethylsulfamoyl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 106335463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).