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

C7H15ClN2O3S — CID 62728659

IUPAC3-chloro-N-[2-(methanesulfonamido)ethyl]-2-methylpropanamide
SMILESCC(CCl)C(=O)NCCNS(C)(=O)=O
InChIInChI=1S/C7H15ClN2O3S/c1-6(5-8)7(11)9-3-4-10-14(2,12)13/h6,10H,3-5H2,1-2H3,(H,9,11)
InChIKeyPJLSOTNAAIHQDK-UHFFFAOYSA-N
MW242.73 g/mol
LogP-0.47
Rot. Bonds6

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

3-chloro-N-[2-(methanesulfonamido)ethyl]-2-methylpropanamide (PubChem CID 62728659) has the molecular formula C7H15ClN2O3S and a molecular weight of 242.73 g/mol. Its IUPAC name is 3-chloro-N-[2-(methanesulfonamido)ethyl]-2-methylpropanamide.

Molecular Properties

Compound Name3-chloro-N-[2-(methanesulfonamido)ethyl]-2-methylpropanamide
PubChem CID62728659
Molecular FormulaC7H15ClN2O3S
Molecular Weight242.73 g/mol
Exact Mass242.05
IUPAC Name3-chloro-N-[2-(methanesulfonamido)ethyl]-2-methylpropanamide
SMILESCC(CCl)C(=O)NCCNS(C)(=O)=O
InChIInChI=1S/C7H15ClN2O3S/c1-6(5-8)7(11)9-3-4-10-14(2,12)13/h6,10H,3-5H2,1-2H3,(H,9,11)
InChIKeyPJLSOTNAAIHQDK-UHFFFAOYSA-N
XLogP-0.47
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.73
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-methyl-N-(3-methylsulfonylpropyl)propanamide
CID 62726649
3-chloro-N-[2-(ethylsulfamoyl)ethyl]-2-methylpropanamide
CID 106335463
3-(ethylamino)-N-[3-(methanesulfonamido)propyl]-2-methylpropanamide
CID 106336507
2-amino-N-[2-(methanesulfonamido)ethyl]-3-methylpentanamide;hydrochloride
CID 119704356
3-chloro-2-methyl-N-(3-methylbutyl)propanamide
CID 62726569
2-chloro-N-[3-(methanesulfonamido)propyl]propanamide
CID 103881559
N-(3-amino-3-oxopropyl)-3-chloro-2-methylpropanamide
CID 62728851
N-(3-chloro-2-methylpropyl)methanesulfonamide
CID 65036670
2-[2-(methanesulfonamido)ethylcarbamoylamino]-4-methylpentanoic acid
CID 61201865
3-[2-(methanesulfonamido)ethylamino]-3-oxopropanoic acid
CID 62230209
3-hydroxy-2-[2-(methanesulfonamido)ethylcarbamoylamino]propanoic acid
CID 61202621
3-chloro-N-[2-(methanesulfonamido)ethylcarbamoyl]propanamide
CID 43546318

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(methanesulfonamido)ethyl]-2-methylpropanamide?
The IUPAC name of 3-chloro-N-[2-(methanesulfonamido)ethyl]-2-methylpropanamide (CID 62728659) is 3-chloro-N-[2-(methanesulfonamido)ethyl]-2-methylpropanamide.
What is the SMILES notation for 3-chloro-N-[2-(methanesulfonamido)ethyl]-2-methylpropanamide?
The canonical SMILES for 3-chloro-N-[2-(methanesulfonamido)ethyl]-2-methylpropanamide is CC(CCl)C(=O)NCCNS(C)(=O)=O.
What is the InChIKey of 3-chloro-N-[2-(methanesulfonamido)ethyl]-2-methylpropanamide?
The InChIKey is PJLSOTNAAIHQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15ClN2O3S/c1-6(5-8)7(11)9-3-4-10-14(2,12)13/h6,10H,3-5H2,1-2H3,(H,9,11).
What are the key properties of 3-chloro-N-[2-(methanesulfonamido)ethyl]-2-methylpropanamide?
3-chloro-N-[2-(methanesulfonamido)ethyl]-2-methylpropanamide has a molecular weight of 242.73 g/mol, XLogP of -0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(methanesulfonamido)ethyl]-2-methylpropanamide is sourced from PubChem (CID 62728659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).