N-(1-chloropropan-2-yl)-2-ethoxyethanesulfonamide

C7H16ClNO3S — CID 65031065

IUPACN-(1-chloropropan-2-yl)-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)NC(C)CCl
InChIInChI=1S/C7H16ClNO3S/c1-3-12-4-5-13(10,11)9-7(2)6-8/h7,9H,3-6H2,1-2H3
InChIKeyWAPYFXIWAPNIAS-UHFFFAOYSA-N
MW229.73 g/mol
LogP0.57
Rot. Bonds7

About N-(1-chloropropan-2-yl)-2-ethoxyethanesulfonamide

N-(1-chloropropan-2-yl)-2-ethoxyethanesulfonamide (PubChem CID 65031065) has the molecular formula C7H16ClNO3S and a molecular weight of 229.73 g/mol. Its IUPAC name is N-(1-chloropropan-2-yl)-2-ethoxyethanesulfonamide.

Molecular Properties

Compound NameN-(1-chloropropan-2-yl)-2-ethoxyethanesulfonamide
PubChem CID65031065
Molecular FormulaC7H16ClNO3S
Molecular Weight229.73 g/mol
Exact Mass229.05
IUPAC NameN-(1-chloropropan-2-yl)-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)NC(C)CCl
InChIInChI=1S/C7H16ClNO3S/c1-3-12-4-5-13(10,11)9-7(2)6-8/h7,9H,3-6H2,1-2H3
InChIKeyWAPYFXIWAPNIAS-UHFFFAOYSA-N
XLogP0.57
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.73
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1-chloropropan-2-yl)-2-ethoxyethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butan-2-yl-2-ethoxyethanesulfonamide
CID 62732367
N-(4-bromobutan-2-yl)-2-ethoxyethanesulfonamide
CID 83179051
N-(1-bromo-4-methylpentan-2-yl)-2-ethoxyethanesulfonamide
CID 114297285
N-(1-bromo-3-methylbutan-2-yl)-2-ethoxyethanesulfonamide
CID 114294798
2-(2-ethoxyethylsulfonylamino)-3-methylbutanoic acid
CID 63245503
2-ethoxy-N-[2-(propan-2-ylamino)ethyl]ethanesulfonamide
CID 63246255
N-(4-chloro-2-methylbutyl)-2-ethoxyethanesulfonamide
CID 66089953
3-chloro-N-(2-ethoxyethyl)-2-methylpropane-1-sulfonamide
CID 79580630
1-bromo-N-(1-ethoxypropan-2-yl)methanesulfonamide
CID 83086572
N-(1-chloro-4-methylpentan-2-yl)-2-methoxyethanesulfonamide
CID 65030939
N-(4-chlorobutan-2-yl)-2-propan-2-yloxyethanesulfonamide
CID 83178902
N-(1-amino-4,4-dimethylpentan-3-yl)-2-ethoxyethanesulfonamide
CID 106357429

Frequently Asked Questions

What is the IUPAC name of N-(1-chloropropan-2-yl)-2-ethoxyethanesulfonamide?
The IUPAC name of N-(1-chloropropan-2-yl)-2-ethoxyethanesulfonamide (CID 65031065) is N-(1-chloropropan-2-yl)-2-ethoxyethanesulfonamide.
What is the SMILES notation for N-(1-chloropropan-2-yl)-2-ethoxyethanesulfonamide?
The canonical SMILES for N-(1-chloropropan-2-yl)-2-ethoxyethanesulfonamide is CCOCCS(=O)(=O)NC(C)CCl.
What is the InChIKey of N-(1-chloropropan-2-yl)-2-ethoxyethanesulfonamide?
The InChIKey is WAPYFXIWAPNIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16ClNO3S/c1-3-12-4-5-13(10,11)9-7(2)6-8/h7,9H,3-6H2,1-2H3.
What are the key properties of N-(1-chloropropan-2-yl)-2-ethoxyethanesulfonamide?
N-(1-chloropropan-2-yl)-2-ethoxyethanesulfonamide has a molecular weight of 229.73 g/mol, XLogP of 0.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloropropan-2-yl)-2-ethoxyethanesulfonamide is sourced from PubChem (CID 65031065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).