3-[4-(chloromethylsulfonylamino)phenoxy]propanamide

C10H13ClN2O4S — CID 63666821

IUPAC3-[4-(chloromethylsulfonylamino)phenoxy]propanamide
SMILESNC(=O)CCOc1ccc(NS(=O)(=O)CCl)cc1
InChIInChI=1S/C10H13ClN2O4S/c11-7-18(15,16)13-8-1-3-9(4-2-8)17-6-5-10(12)14/h1-4,13H,5-7H2,(H2,12,14)
InChIKeyCOTKDXXCPKRQEH-UHFFFAOYSA-N
MW292.74 g/mol
LogP0.88
Rot. Bonds7

About 3-[4-(chloromethylsulfonylamino)phenoxy]propanamide

3-[4-(chloromethylsulfonylamino)phenoxy]propanamide (PubChem CID 63666821) has the molecular formula C10H13ClN2O4S and a molecular weight of 292.74 g/mol. Its IUPAC name is 3-[4-(chloromethylsulfonylamino)phenoxy]propanamide.

Molecular Properties

Compound Name3-[4-(chloromethylsulfonylamino)phenoxy]propanamide
PubChem CID63666821
Molecular FormulaC10H13ClN2O4S
Molecular Weight292.74 g/mol
Exact Mass292.03
IUPAC Name3-[4-(chloromethylsulfonylamino)phenoxy]propanamide
SMILESNC(=O)CCOc1ccc(NS(=O)(=O)CCl)cc1
InChIInChI=1S/C10H13ClN2O4S/c11-7-18(15,16)13-8-1-3-9(4-2-8)17-6-5-10(12)14/h1-4,13H,5-7H2,(H2,12,14)
InChIKeyCOTKDXXCPKRQEH-UHFFFAOYSA-N
XLogP0.88
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(methanesulfonamido)phenoxy]propanamide
CID 61062457
[4-(chloromethylsulfonylamino)phenyl]urea
CID 63666209
1-chloro-N-[4-(cyanomethoxy)phenyl]methanesulfonamide
CID 63664967
3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide
CID 43700453
2-[4-[(3-chloro-2-methylpropyl)sulfonylamino]phenoxy]acetamide
CID 79586204
1-chloro-N-(4-hydroxyphenyl)methanesulfonamide
CID 63666171
1-chloro-N-[4-[4-(chloromethylsulfonylamino)phenyl]phenyl]methanesulfonamide
CID 163924454
ethyl N-[4-(chloromethylsulfonylamino)phenyl]carbamate
CID 55245640
N-[4-(3-amino-3-oxopropoxy)phenyl]-2-bromopropanamide
CID 114014328
(2R)-2-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide;hydrochloride
CID 119294951
4-chloro-N-[4-(2-methoxyethoxy)phenyl]butane-1-sulfonamide
CID 116815790
N-(4-propoxyphenyl)ethanesulfonamide
CID 50895245

Frequently Asked Questions

What is the IUPAC name of 3-[4-(chloromethylsulfonylamino)phenoxy]propanamide?
The IUPAC name of 3-[4-(chloromethylsulfonylamino)phenoxy]propanamide (CID 63666821) is 3-[4-(chloromethylsulfonylamino)phenoxy]propanamide.
What is the SMILES notation for 3-[4-(chloromethylsulfonylamino)phenoxy]propanamide?
The canonical SMILES for 3-[4-(chloromethylsulfonylamino)phenoxy]propanamide is NC(=O)CCOc1ccc(NS(=O)(=O)CCl)cc1.
What is the InChIKey of 3-[4-(chloromethylsulfonylamino)phenoxy]propanamide?
The InChIKey is COTKDXXCPKRQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O4S/c11-7-18(15,16)13-8-1-3-9(4-2-8)17-6-5-10(12)14/h1-4,13H,5-7H2,(H2,12,14).
What are the key properties of 3-[4-(chloromethylsulfonylamino)phenoxy]propanamide?
3-[4-(chloromethylsulfonylamino)phenoxy]propanamide has a molecular weight of 292.74 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(chloromethylsulfonylamino)phenoxy]propanamide is sourced from PubChem (CID 63666821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).