1-chloro-N-methyl-N-(1-phenylethyl)methanesulfonamide

C10H14ClNO2S — CID 63665534

IUPAC1-chloro-N-methyl-N-(1-phenylethyl)methanesulfonamide
SMILESCC(c1ccccc1)N(C)S(=O)(=O)CCl
InChIInChI=1S/C10H14ClNO2S/c1-9(10-6-4-3-5-7-10)12(2)15(13,14)8-11/h3-7,9H,8H2,1-2H3
InChIKeyLCEQUUFUWLGNAR-UHFFFAOYSA-N
MW247.75 g/mol
LogP2.21
Rot. Bonds4

About 1-chloro-N-methyl-N-(1-phenylethyl)methanesulfonamide

1-chloro-N-methyl-N-(1-phenylethyl)methanesulfonamide (PubChem CID 63665534) has the molecular formula C10H14ClNO2S and a molecular weight of 247.75 g/mol. Its IUPAC name is 1-chloro-N-methyl-N-(1-phenylethyl)methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-methyl-N-(1-phenylethyl)methanesulfonamide
PubChem CID63665534
Molecular FormulaC10H14ClNO2S
Molecular Weight247.75 g/mol
Exact Mass247.04
IUPAC Name1-chloro-N-methyl-N-(1-phenylethyl)methanesulfonamide
SMILESCC(c1ccccc1)N(C)S(=O)(=O)CCl
InChIInChI=1S/C10H14ClNO2S/c1-9(10-6-4-3-5-7-10)12(2)15(13,14)8-11/h3-7,9H,8H2,1-2H3
InChIKeyLCEQUUFUWLGNAR-UHFFFAOYSA-N
XLogP2.21
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-N-methyl-N-(1-thiophen-2-ylethyl)methanesulfonamide
CID 63664720
N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 23331017
2-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 18192076
N-[1-(4-chlorophenyl)ethyl]-N-methylpropane-1-sulfonamide
CID 61383758
(1S)-N,N-dimethyl-1-phenylethanamine
CID 2724276
2-chloro-N-(1-phenylethyl)-N-propan-2-ylacetamide
CID 117059844
N-[1-(3-aminophenyl)ethyl]-N,3-dimethylbutane-1-sulfonamide
CID 63857119
N-[(1R)-1-(2-chlorophenyl)ethyl]-N-methyl-1-phenylmethanesulfonamide
CID 94605874
N,N-bis(2-chloroethyl)-1-phenylethanamine;hydrochloride
CID 138396559
N-chloro-N-(1-phenylethyl)benzenesulfonamide
CID 12844430
(1S)-N,N-dimethyl-1-phenylethanamine;hydrochloride
CID 141121906
3-chloro-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]propane-1-sulfonamide
CID 107858848

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-methyl-N-(1-phenylethyl)methanesulfonamide?
The IUPAC name of 1-chloro-N-methyl-N-(1-phenylethyl)methanesulfonamide (CID 63665534) is 1-chloro-N-methyl-N-(1-phenylethyl)methanesulfonamide.
What is the SMILES notation for 1-chloro-N-methyl-N-(1-phenylethyl)methanesulfonamide?
The canonical SMILES for 1-chloro-N-methyl-N-(1-phenylethyl)methanesulfonamide is CC(c1ccccc1)N(C)S(=O)(=O)CCl.
What is the InChIKey of 1-chloro-N-methyl-N-(1-phenylethyl)methanesulfonamide?
The InChIKey is LCEQUUFUWLGNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2S/c1-9(10-6-4-3-5-7-10)12(2)15(13,14)8-11/h3-7,9H,8H2,1-2H3.
What are the key properties of 1-chloro-N-methyl-N-(1-phenylethyl)methanesulfonamide?
1-chloro-N-methyl-N-(1-phenylethyl)methanesulfonamide has a molecular weight of 247.75 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-methyl-N-(1-phenylethyl)methanesulfonamide is sourced from PubChem (CID 63665534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).