4-chloro-2-(diethylsulfamoylamino)-1-methoxybutane

C9H21ClN2O3S — CID 106158227

IUPAC4-chloro-2-(diethylsulfamoylamino)-1-methoxybutane
SMILESCCN(CC)S(=O)(=O)NC(CCCl)COC
InChIInChI=1S/C9H21ClN2O3S/c1-4-12(5-2)16(13,14)11-9(6-7-10)8-15-3/h9,11H,4-8H2,1-3H3
InChIKeyYUWOSFCAEIBDTP-UHFFFAOYSA-N
MW272.80 g/mol
LogP0.81
Rot. Bonds9

About 4-chloro-2-(diethylsulfamoylamino)-1-methoxybutane

4-chloro-2-(diethylsulfamoylamino)-1-methoxybutane (PubChem CID 106158227) has the molecular formula C9H21ClN2O3S and a molecular weight of 272.80 g/mol. Its IUPAC name is 4-chloro-2-(diethylsulfamoylamino)-1-methoxybutane.

Molecular Properties

Compound Name4-chloro-2-(diethylsulfamoylamino)-1-methoxybutane
PubChem CID106158227
Molecular FormulaC9H21ClN2O3S
Molecular Weight272.80 g/mol
Exact Mass272.10
IUPAC Name4-chloro-2-(diethylsulfamoylamino)-1-methoxybutane
SMILESCCN(CC)S(=O)(=O)NC(CCCl)COC
InChIInChI=1S/C9H21ClN2O3S/c1-4-12(5-2)16(13,14)11-9(6-7-10)8-15-3/h9,11H,4-8H2,1-3H3
InChIKeyYUWOSFCAEIBDTP-UHFFFAOYSA-N
XLogP0.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(diethylsulfamoylamino)-1-methoxybutane?
The IUPAC name of 4-chloro-2-(diethylsulfamoylamino)-1-methoxybutane (CID 106158227) is 4-chloro-2-(diethylsulfamoylamino)-1-methoxybutane.
What is the SMILES notation for 4-chloro-2-(diethylsulfamoylamino)-1-methoxybutane?
The canonical SMILES for 4-chloro-2-(diethylsulfamoylamino)-1-methoxybutane is CCN(CC)S(=O)(=O)NC(CCCl)COC.
What is the InChIKey of 4-chloro-2-(diethylsulfamoylamino)-1-methoxybutane?
The InChIKey is YUWOSFCAEIBDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21ClN2O3S/c1-4-12(5-2)16(13,14)11-9(6-7-10)8-15-3/h9,11H,4-8H2,1-3H3.
What are the key properties of 4-chloro-2-(diethylsulfamoylamino)-1-methoxybutane?
4-chloro-2-(diethylsulfamoylamino)-1-methoxybutane has a molecular weight of 272.80 g/mol, XLogP of 0.81, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(diethylsulfamoylamino)-1-methoxybutane is sourced from PubChem (CID 106158227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).