2-chloro-N-[3-(methanesulfonamido)propyl]propanamide

C7H15ClN2O3S — CID 103881559

IUPAC2-chloro-N-[3-(methanesulfonamido)propyl]propanamide
SMILESCC(Cl)C(=O)NCCCNS(C)(=O)=O
InChIInChI=1S/C7H15ClN2O3S/c1-6(8)7(11)9-4-3-5-10-14(2,12)13/h6,10H,3-5H2,1-2H3,(H,9,11)
InChIKeyKQVOBHSWQPIOKK-UHFFFAOYSA-N
MW242.73 g/mol
LogP-0.33
Rot. Bonds6

About 2-chloro-N-[3-(methanesulfonamido)propyl]propanamide

2-chloro-N-[3-(methanesulfonamido)propyl]propanamide (PubChem CID 103881559) has the molecular formula C7H15ClN2O3S and a molecular weight of 242.73 g/mol. Its IUPAC name is 2-chloro-N-[3-(methanesulfonamido)propyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[3-(methanesulfonamido)propyl]propanamide
PubChem CID103881559
Molecular FormulaC7H15ClN2O3S
Molecular Weight242.73 g/mol
Exact Mass242.05
IUPAC Name2-chloro-N-[3-(methanesulfonamido)propyl]propanamide
SMILESCC(Cl)C(=O)NCCCNS(C)(=O)=O
InChIInChI=1S/C7H15ClN2O3S/c1-6(8)7(11)9-4-3-5-10-14(2,12)13/h6,10H,3-5H2,1-2H3,(H,9,11)
InChIKeyKQVOBHSWQPIOKK-UHFFFAOYSA-N
XLogP-0.33
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 ≤ 5-0.33
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-(ethylamino)-N-[3-(methanesulfonamido)propyl]-2-methylpropanamide
CID 106336507
2-amino-N-[3-(methanesulfonamido)propyl]-3,3-dimethylbutanamide
CID 113288255
(2R)-2-amino-N-[3-(methanesulfonamido)propyl]pentanamide
CID 103795309
N-[3-(methanesulfonamido)propyl]-2-sulfanylacetamide
CID 106340083
2-(N'-hydroxycarbamimidoyl)-N-[3-(methanesulfonamido)propyl]-3-methylbutanamide
CID 106341703
3-(methanesulfonamido)propylthiourea
CID 106335651
2,2,2-trifluoro-N-[3-(methanesulfonamido)propyl]acetamide
CID 103637532
3-chloro-N-[2-(methanesulfonamido)ethyl]-2-methylpropanamide
CID 62728659
3-[3-(methanesulfonamido)propylcarbamoylamino]-2-methylbutanoic acid
CID 106340277
(2S,3R)-3-hydroxy-2-[3-(methanesulfonamido)propylcarbamoylamino]butanoic acid
CID 106340266
2-chloro-N-(3-methylsulfanylpropyl)propanamide
CID 63965545
1-[2-[di(propan-2-yl)amino]ethyl]-3-[3-(methanesulfonamido)propyl]-2-methylguanidine;hydroiodide
CID 111248738

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(methanesulfonamido)propyl]propanamide?
The IUPAC name of 2-chloro-N-[3-(methanesulfonamido)propyl]propanamide (CID 103881559) is 2-chloro-N-[3-(methanesulfonamido)propyl]propanamide.
What is the SMILES notation for 2-chloro-N-[3-(methanesulfonamido)propyl]propanamide?
The canonical SMILES for 2-chloro-N-[3-(methanesulfonamido)propyl]propanamide is CC(Cl)C(=O)NCCCNS(C)(=O)=O.
What is the InChIKey of 2-chloro-N-[3-(methanesulfonamido)propyl]propanamide?
The InChIKey is KQVOBHSWQPIOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15ClN2O3S/c1-6(8)7(11)9-4-3-5-10-14(2,12)13/h6,10H,3-5H2,1-2H3,(H,9,11).
What are the key properties of 2-chloro-N-[3-(methanesulfonamido)propyl]propanamide?
2-chloro-N-[3-(methanesulfonamido)propyl]propanamide has a molecular weight of 242.73 g/mol, XLogP of -0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(methanesulfonamido)propyl]propanamide is sourced from PubChem (CID 103881559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).