1-chloro-N-[2-(methoxymethyl)phenyl]methanesulfonamide

C9H12ClNO3S — CID 63664132

IUPAC1-chloro-N-[2-(methoxymethyl)phenyl]methanesulfonamide
SMILESCOCc1ccccc1NS(=O)(=O)CCl
InChIInChI=1S/C9H12ClNO3S/c1-14-6-8-4-2-3-5-9(8)11-15(12,13)7-10/h2-5,11H,6-7H2,1H3
InChIKeyFMGXUSZITWFRDV-UHFFFAOYSA-N
MW249.72 g/mol
LogP1.77
Rot. Bonds5

About 1-chloro-N-[2-(methoxymethyl)phenyl]methanesulfonamide

1-chloro-N-[2-(methoxymethyl)phenyl]methanesulfonamide (PubChem CID 63664132) has the molecular formula C9H12ClNO3S and a molecular weight of 249.72 g/mol. Its IUPAC name is 1-chloro-N-[2-(methoxymethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-[2-(methoxymethyl)phenyl]methanesulfonamide
PubChem CID63664132
Molecular FormulaC9H12ClNO3S
Molecular Weight249.72 g/mol
Exact Mass249.02
IUPAC Name1-chloro-N-[2-(methoxymethyl)phenyl]methanesulfonamide
SMILESCOCc1ccccc1NS(=O)(=O)CCl
InChIInChI=1S/C9H12ClNO3S/c1-14-6-8-4-2-3-5-9(8)11-15(12,13)7-10/h2-5,11H,6-7H2,1H3
InChIKeyFMGXUSZITWFRDV-UHFFFAOYSA-N
XLogP1.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.72
LogP ≤ 51.77
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

1-chloro-N-[2-(2-methoxyethyl)phenyl]methanesulfonamide
CID 102907633
1-chloro-N-[2-[(dimethylamino)methyl]phenyl]methanesulfonamide
CID 63665572
2-(ethylamino)-N-[2-(methoxymethyl)phenyl]ethanesulfonamide
CID 54972159
N-[2-(methoxymethyl)phenyl]-3-(methylamino)propane-1-sulfonamide
CID 106003223
N-[2-(methoxymethyl)phenyl]-4-(propylamino)butane-1-sulfonamide
CID 106003226
2-bromo-N-[2-(methoxymethyl)phenyl]benzenesulfonamide
CID 47310105
4-(cyclopropylamino)-N-[2-(methoxymethyl)phenyl]butane-1-sulfonamide
CID 106003237
1-chloro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]methanesulfonamide
CID 63666626
N-[2-(methoxymethyl)phenyl]-5-(methylaminomethyl)furan-2-sulfonamide
CID 106003230
N-[2-(methoxymethyl)phenyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 61249722
5-chloro-N-[2-(methoxymethyl)phenyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 64607514
N-[2-(methoxymethyl)phenyl]-2-(methylamino)pyrimidine-5-sulfonamide
CID 62151716

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[2-(methoxymethyl)phenyl]methanesulfonamide?
The IUPAC name of 1-chloro-N-[2-(methoxymethyl)phenyl]methanesulfonamide (CID 63664132) is 1-chloro-N-[2-(methoxymethyl)phenyl]methanesulfonamide.
What is the SMILES notation for 1-chloro-N-[2-(methoxymethyl)phenyl]methanesulfonamide?
The canonical SMILES for 1-chloro-N-[2-(methoxymethyl)phenyl]methanesulfonamide is COCc1ccccc1NS(=O)(=O)CCl.
What is the InChIKey of 1-chloro-N-[2-(methoxymethyl)phenyl]methanesulfonamide?
The InChIKey is FMGXUSZITWFRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO3S/c1-14-6-8-4-2-3-5-9(8)11-15(12,13)7-10/h2-5,11H,6-7H2,1H3.
What are the key properties of 1-chloro-N-[2-(methoxymethyl)phenyl]methanesulfonamide?
1-chloro-N-[2-(methoxymethyl)phenyl]methanesulfonamide has a molecular weight of 249.72 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[2-(methoxymethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 63664132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).