3-chloro-N-(2-ethoxyethyl)-2-methylpropane-1-sulfonamide

C8H18ClNO3S — CID 79580630

IUPAC3-chloro-N-(2-ethoxyethyl)-2-methylpropane-1-sulfonamide
SMILESCCOCCNS(=O)(=O)CC(C)CCl
InChIInChI=1S/C8H18ClNO3S/c1-3-13-5-4-10-14(11,12)7-8(2)6-9/h8,10H,3-7H2,1-2H3
InChIKeyMXFIYMMANVVWPA-UHFFFAOYSA-N
MW243.76 g/mol
LogP0.82
Rot. Bonds8

About 3-chloro-N-(2-ethoxyethyl)-2-methylpropane-1-sulfonamide

3-chloro-N-(2-ethoxyethyl)-2-methylpropane-1-sulfonamide (PubChem CID 79580630) has the molecular formula C8H18ClNO3S and a molecular weight of 243.76 g/mol. Its IUPAC name is 3-chloro-N-(2-ethoxyethyl)-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2-ethoxyethyl)-2-methylpropane-1-sulfonamide
PubChem CID79580630
Molecular FormulaC8H18ClNO3S
Molecular Weight243.76 g/mol
Exact Mass243.07
IUPAC Name3-chloro-N-(2-ethoxyethyl)-2-methylpropane-1-sulfonamide
SMILESCCOCCNS(=O)(=O)CC(C)CCl
InChIInChI=1S/C8H18ClNO3S/c1-3-13-5-4-10-14(11,12)7-8(2)6-9/h8,10H,3-7H2,1-2H3
InChIKeyMXFIYMMANVVWPA-UHFFFAOYSA-N
XLogP0.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 50.82
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'}

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Related Compounds

3-chloro-2-methyl-N-(4-propan-2-yloxybutyl)propane-1-sulfonamide
CID 106014455
3-chloro-N-(2-cyclopropylethyl)-2-methylpropane-1-sulfonamide
CID 79588548
N-(1-chloropropan-2-yl)-2-ethoxyethanesulfonamide
CID 65031065
3-chloro-2-methyl-N-(2-phenylethyl)propane-1-sulfonamide
CID 79585541
3-chloro-N-(3-ethyl-2-hydroxypentyl)-2-methylpropane-1-sulfonamide
CID 106288577
3-chloro-2-methyl-N-(2,3,3-trimethylbutyl)propane-1-sulfonamide
CID 83146748
3-chloro-N-[2-(3,5-difluorophenyl)ethyl]-2-methylpropane-1-sulfonamide
CID 79586151
N-[2-(2-ethoxyethoxy)ethyl]methanesulfonamide
CID 176560121
N-(4-chloro-2-methylbutyl)-2-ethoxyethanesulfonamide
CID 66089953
2-chloro-N-[2-(2-methylpropoxy)ethyl]ethanesulfonamide
CID 107652526
2-ethoxy-N-[2-(propan-2-ylamino)ethyl]ethanesulfonamide
CID 63246255
3-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylpropane-1-sulfonamide
CID 79585976

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-ethoxyethyl)-2-methylpropane-1-sulfonamide?
The IUPAC name of 3-chloro-N-(2-ethoxyethyl)-2-methylpropane-1-sulfonamide (CID 79580630) is 3-chloro-N-(2-ethoxyethyl)-2-methylpropane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-(2-ethoxyethyl)-2-methylpropane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-(2-ethoxyethyl)-2-methylpropane-1-sulfonamide is CCOCCNS(=O)(=O)CC(C)CCl.
What is the InChIKey of 3-chloro-N-(2-ethoxyethyl)-2-methylpropane-1-sulfonamide?
The InChIKey is MXFIYMMANVVWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18ClNO3S/c1-3-13-5-4-10-14(11,12)7-8(2)6-9/h8,10H,3-7H2,1-2H3.
What are the key properties of 3-chloro-N-(2-ethoxyethyl)-2-methylpropane-1-sulfonamide?
3-chloro-N-(2-ethoxyethyl)-2-methylpropane-1-sulfonamide has a molecular weight of 243.76 g/mol, XLogP of 0.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-ethoxyethyl)-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 79580630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).