3-chloro-N-(2-ethoxy-2-methylpropyl)propane-1-sulfonamide

C9H20ClNO3S — CID 114943825

IUPAC3-chloro-N-(2-ethoxy-2-methylpropyl)propane-1-sulfonamide
SMILESCCOC(C)(C)CNS(=O)(=O)CCCCl
InChIInChI=1S/C9H20ClNO3S/c1-4-14-9(2,3)8-11-15(12,13)7-5-6-10/h11H,4-8H2,1-3H3
InChIKeyTVDDWCZMPKYHTQ-UHFFFAOYSA-N
MW257.78 g/mol
LogP1.35
Rot. Bonds8

About 3-chloro-N-(2-ethoxy-2-methylpropyl)propane-1-sulfonamide

3-chloro-N-(2-ethoxy-2-methylpropyl)propane-1-sulfonamide (PubChem CID 114943825) has the molecular formula C9H20ClNO3S and a molecular weight of 257.78 g/mol. Its IUPAC name is 3-chloro-N-(2-ethoxy-2-methylpropyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2-ethoxy-2-methylpropyl)propane-1-sulfonamide
PubChem CID114943825
Molecular FormulaC9H20ClNO3S
Molecular Weight257.78 g/mol
Exact Mass257.09
IUPAC Name3-chloro-N-(2-ethoxy-2-methylpropyl)propane-1-sulfonamide
SMILESCCOC(C)(C)CNS(=O)(=O)CCCCl
InChIInChI=1S/C9H20ClNO3S/c1-4-14-9(2,3)8-11-15(12,13)7-5-6-10/h11H,4-8H2,1-3H3
InChIKeyTVDDWCZMPKYHTQ-UHFFFAOYSA-N
XLogP1.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.78
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxy-2-methylpropyl)propane-1-sulfonamide
CID 114944335
N-(2-ethoxy-2-methylpropyl)ethanesulfonamide
CID 114944336
4-[(2-ethoxy-2-methylpropyl)sulfamoyl]butanoic acid
CID 114940682
3-chloro-N-[2-(dimethylamino)-2-methylpropyl]propane-1-sulfonamide
CID 61249127
N-(2-ethoxy-2-methylpropyl)methanesulfonamide
CID 114944342
2-[(2-ethoxy-2-methylpropyl)sulfamoyl]acetic acid
CID 114940667
N-(5-chloro-2,2-dimethylpentyl)-2-ethoxyethanesulfonamide
CID 106146162
4-chloro-N-(2-ethyl-2-hydroxybutyl)butane-1-sulfonamide
CID 116816263
3-chloro-N-(2-hydroxy-2,4-dimethylpentyl)propane-1-sulfonamide
CID 66171876
3-(ethylamino)-N-(2-methoxy-2-methylpropyl)propane-1-sulfonamide
CID 106079963
3-amino-N-(2-methoxy-2-methylpropyl)propane-1-sulfonamide
CID 104759977
N-(2-aminoethyl)-3-chloropropane-1-sulfonamide
CID 61248217

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-ethoxy-2-methylpropyl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-(2-ethoxy-2-methylpropyl)propane-1-sulfonamide (CID 114943825) is 3-chloro-N-(2-ethoxy-2-methylpropyl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-(2-ethoxy-2-methylpropyl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-(2-ethoxy-2-methylpropyl)propane-1-sulfonamide is CCOC(C)(C)CNS(=O)(=O)CCCCl.
What is the InChIKey of 3-chloro-N-(2-ethoxy-2-methylpropyl)propane-1-sulfonamide?
The InChIKey is TVDDWCZMPKYHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20ClNO3S/c1-4-14-9(2,3)8-11-15(12,13)7-5-6-10/h11H,4-8H2,1-3H3.
What are the key properties of 3-chloro-N-(2-ethoxy-2-methylpropyl)propane-1-sulfonamide?
3-chloro-N-(2-ethoxy-2-methylpropyl)propane-1-sulfonamide has a molecular weight of 257.78 g/mol, XLogP of 1.35, 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-ethoxy-2-methylpropyl)propane-1-sulfonamide is sourced from PubChem (CID 114943825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).