N-(1-chlorobutan-2-yl)morpholine-4-sulfonamide

C8H17ClN2O3S — CID 65033713

IUPACN-(1-chlorobutan-2-yl)morpholine-4-sulfonamide
SMILESCCC(CCl)NS(=O)(=O)N1CCOCC1
InChIInChI=1S/C8H17ClN2O3S/c1-2-8(7-9)10-15(12,13)11-3-5-14-6-4-11/h8,10H,2-7H2,1H3
InChIKeyOVNHPASFCVOBMY-UHFFFAOYSA-N
MW256.75 g/mol
LogP0.17
Rot. Bonds5

About N-(1-chlorobutan-2-yl)morpholine-4-sulfonamide

N-(1-chlorobutan-2-yl)morpholine-4-sulfonamide (PubChem CID 65033713) has the molecular formula C8H17ClN2O3S and a molecular weight of 256.75 g/mol. Its IUPAC name is N-(1-chlorobutan-2-yl)morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-(1-chlorobutan-2-yl)morpholine-4-sulfonamide
PubChem CID65033713
Molecular FormulaC8H17ClN2O3S
Molecular Weight256.75 g/mol
Exact Mass256.06
IUPAC NameN-(1-chlorobutan-2-yl)morpholine-4-sulfonamide
SMILESCCC(CCl)NS(=O)(=O)N1CCOCC1
InChIInChI=1S/C8H17ClN2O3S/c1-2-8(7-9)10-15(12,13)11-3-5-14-6-4-11/h8,10H,2-7H2,1H3
InChIKeyOVNHPASFCVOBMY-UHFFFAOYSA-N
XLogP0.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.75
LogP ≤ 50.17
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 N-(1-chlorobutan-2-yl)morpholine-4-sulfonamide?
The IUPAC name of N-(1-chlorobutan-2-yl)morpholine-4-sulfonamide (CID 65033713) is N-(1-chlorobutan-2-yl)morpholine-4-sulfonamide.
What is the SMILES notation for N-(1-chlorobutan-2-yl)morpholine-4-sulfonamide?
The canonical SMILES for N-(1-chlorobutan-2-yl)morpholine-4-sulfonamide is CCC(CCl)NS(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(1-chlorobutan-2-yl)morpholine-4-sulfonamide?
The InChIKey is OVNHPASFCVOBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClN2O3S/c1-2-8(7-9)10-15(12,13)11-3-5-14-6-4-11/h8,10H,2-7H2,1H3.
What are the key properties of N-(1-chlorobutan-2-yl)morpholine-4-sulfonamide?
N-(1-chlorobutan-2-yl)morpholine-4-sulfonamide has a molecular weight of 256.75 g/mol, XLogP of 0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chlorobutan-2-yl)morpholine-4-sulfonamide is sourced from PubChem (CID 65033713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).