1-chloro-N-[4-(cyanomethoxy)phenyl]methanesulfonamide

C9H9ClN2O3S — CID 63664967

IUPAC1-chloro-N-[4-(cyanomethoxy)phenyl]methanesulfonamide
SMILESN#CCOc1ccc(NS(=O)(=O)CCl)cc1
InChIInChI=1S/C9H9ClN2O3S/c10-7-16(13,14)12-8-1-3-9(4-2-8)15-6-5-11/h1-4,12H,6-7H2
InChIKeyFXUATBKHVKNPGV-UHFFFAOYSA-N
MW260.70 g/mol
LogP1.53
Rot. Bonds5

About 1-chloro-N-[4-(cyanomethoxy)phenyl]methanesulfonamide

1-chloro-N-[4-(cyanomethoxy)phenyl]methanesulfonamide (PubChem CID 63664967) has the molecular formula C9H9ClN2O3S and a molecular weight of 260.70 g/mol. Its IUPAC name is 1-chloro-N-[4-(cyanomethoxy)phenyl]methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-[4-(cyanomethoxy)phenyl]methanesulfonamide
PubChem CID63664967
Molecular FormulaC9H9ClN2O3S
Molecular Weight260.70 g/mol
Exact Mass260.00
IUPAC Name1-chloro-N-[4-(cyanomethoxy)phenyl]methanesulfonamide
SMILESN#CCOc1ccc(NS(=O)(=O)CCl)cc1
InChIInChI=1S/C9H9ClN2O3S/c10-7-16(13,14)12-8-1-3-9(4-2-8)15-6-5-11/h1-4,12H,6-7H2
InChIKeyFXUATBKHVKNPGV-UHFFFAOYSA-N
XLogP1.53
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(cyanomethoxy)phenyl]propane-1-sulfonamide
CID 43242609
N-[4-(cyanomethoxy)phenyl]-2-methylpropane-1-sulfonamide
CID 62997815
N-[4-(cyanomethoxy)phenyl]-1,1-difluoromethanesulfonamide
CID 43175608
4-(3-chloropropyl)-N-[4-(cyanomethoxy)phenyl]benzenesulfonamide
CID 60621668
N-[4-(cyanomethoxy)phenyl]cyclopentanesulfonamide
CID 115606497
2-chloro-N-[4-(cyanomethoxy)phenyl]-4-methylbenzenesulfonamide
CID 32675605
1-chloro-N-(6-cyano-3-pyridinyl)methanesulfonamide
CID 164647854
3-[4-(chloromethylsulfonylamino)phenoxy]propanamide
CID 63666821
2-chloro-N-[3-(cyanomethoxy)phenyl]ethanesulfonamide
CID 107651420
1-chloro-N-[4-[4-(chloromethylsulfonylamino)phenyl]phenyl]methanesulfonamide
CID 163924454
N-[4-(cyanomethoxy)phenyl]oxane-4-sulfonamide
CID 62047896
methyl 2-[[4-(cyanomethoxy)phenyl]sulfamoyl]propanoate
CID 61458467

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[4-(cyanomethoxy)phenyl]methanesulfonamide?
The IUPAC name of 1-chloro-N-[4-(cyanomethoxy)phenyl]methanesulfonamide (CID 63664967) is 1-chloro-N-[4-(cyanomethoxy)phenyl]methanesulfonamide.
What is the SMILES notation for 1-chloro-N-[4-(cyanomethoxy)phenyl]methanesulfonamide?
The canonical SMILES for 1-chloro-N-[4-(cyanomethoxy)phenyl]methanesulfonamide is N#CCOc1ccc(NS(=O)(=O)CCl)cc1.
What is the InChIKey of 1-chloro-N-[4-(cyanomethoxy)phenyl]methanesulfonamide?
The InChIKey is FXUATBKHVKNPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O3S/c10-7-16(13,14)12-8-1-3-9(4-2-8)15-6-5-11/h1-4,12H,6-7H2.
What are the key properties of 1-chloro-N-[4-(cyanomethoxy)phenyl]methanesulfonamide?
1-chloro-N-[4-(cyanomethoxy)phenyl]methanesulfonamide has a molecular weight of 260.70 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[4-(cyanomethoxy)phenyl]methanesulfonamide is sourced from PubChem (CID 63664967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).