4-[5-(chloromethyl)-2-methylfuran-3-yl]sulfonylmorpholine

C10H14ClNO4S — CID 39733408

IUPAC4-[5-(chloromethyl)-2-methylfuran-3-yl]sulfonylmorpholine
SMILESCc1oc(CCl)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C10H14ClNO4S/c1-8-10(6-9(7-11)16-8)17(13,14)12-2-4-15-5-3-12/h6H,2-5,7H2,1H3
InChIKeyXNXNPDAJNVISRT-UHFFFAOYSA-N
MW279.75 g/mol
LogP1.35
Rot. Bonds3

About 4-[5-(chloromethyl)-2-methylfuran-3-yl]sulfonylmorpholine

4-[5-(chloromethyl)-2-methylfuran-3-yl]sulfonylmorpholine (PubChem CID 39733408) has the molecular formula C10H14ClNO4S and a molecular weight of 279.75 g/mol. Its IUPAC name is 4-[5-(chloromethyl)-2-methylfuran-3-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[5-(chloromethyl)-2-methylfuran-3-yl]sulfonylmorpholine
PubChem CID39733408
Molecular FormulaC10H14ClNO4S
Molecular Weight279.75 g/mol
Exact Mass279.03
IUPAC Name4-[5-(chloromethyl)-2-methylfuran-3-yl]sulfonylmorpholine
SMILESCc1oc(CCl)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C10H14ClNO4S/c1-8-10(6-9(7-11)16-8)17(13,14)12-2-4-15-5-3-12/h6H,2-5,7H2,1H3
InChIKeyXNXNPDAJNVISRT-UHFFFAOYSA-N
XLogP1.35
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[5-(chloromethyl)-2-methylfuran-3-yl]sulfonylmorpholine 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

4-(2,4-dichloro-5-methylphenyl)sulfonylmorpholine
CID 775833
5-chloro-2,4-bis(morpholin-4-ylsulfonyl)aniline
CID 1161043
[4-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-5-methylfuran-2-yl]methanol
CID 114413744
4-(2,4-dichloro-3-methylphenyl)sulfonylmorpholine
CID 881417
2-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3409401
5-chloro-2-methyl-3-morpholin-4-ylsulfonylbenzoic acid
CID 82883717
4-(2-chlorophenyl)sulfonylmorpholine
CID 7938037
(2,5-dichloro-4-morpholin-4-ylsulfonylphenyl)methanol
CID 59093503
4-(4-chloro-2,5-dimethoxyphenyl)sulfonylmorpholine
CID 760766
4-[5-(benzenesulfonyl)-2-methylphenyl]sulfonylmorpholine
CID 1097196
4-[2-(2-methylpropyl)-4-propan-2-ylphenyl]sulfonylmorpholine
CID 163628982
4-(3,5-dichloro-2-methoxyphenyl)sulfonylmorpholine
CID 110758541

Frequently Asked Questions

What is the IUPAC name of 4-[5-(chloromethyl)-2-methylfuran-3-yl]sulfonylmorpholine?
The IUPAC name of 4-[5-(chloromethyl)-2-methylfuran-3-yl]sulfonylmorpholine (CID 39733408) is 4-[5-(chloromethyl)-2-methylfuran-3-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[5-(chloromethyl)-2-methylfuran-3-yl]sulfonylmorpholine?
The canonical SMILES for 4-[5-(chloromethyl)-2-methylfuran-3-yl]sulfonylmorpholine is Cc1oc(CCl)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-[5-(chloromethyl)-2-methylfuran-3-yl]sulfonylmorpholine?
The InChIKey is XNXNPDAJNVISRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO4S/c1-8-10(6-9(7-11)16-8)17(13,14)12-2-4-15-5-3-12/h6H,2-5,7H2,1H3.
What are the key properties of 4-[5-(chloromethyl)-2-methylfuran-3-yl]sulfonylmorpholine?
4-[5-(chloromethyl)-2-methylfuran-3-yl]sulfonylmorpholine has a molecular weight of 279.75 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(chloromethyl)-2-methylfuran-3-yl]sulfonylmorpholine is sourced from PubChem (CID 39733408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).