1-chloro-N-ethyl-N-[(4-methoxyphenyl)methyl]methanesulfonamide

C11H16ClNO3S — CID 63664523

IUPAC1-chloro-N-ethyl-N-[(4-methoxyphenyl)methyl]methanesulfonamide
SMILESCCN(Cc1ccc(OC)cc1)S(=O)(=O)CCl
InChIInChI=1S/C11H16ClNO3S/c1-3-13(17(14,15)9-12)8-10-4-6-11(16-2)7-5-10/h4-7H,3,8-9H2,1-2H3
InChIKeyFZSHXENOZYAOQV-UHFFFAOYSA-N
MW277.77 g/mol
LogP2.04
Rot. Bonds6

About 1-chloro-N-ethyl-N-[(4-methoxyphenyl)methyl]methanesulfonamide

1-chloro-N-ethyl-N-[(4-methoxyphenyl)methyl]methanesulfonamide (PubChem CID 63664523) has the molecular formula C11H16ClNO3S and a molecular weight of 277.77 g/mol. Its IUPAC name is 1-chloro-N-ethyl-N-[(4-methoxyphenyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-ethyl-N-[(4-methoxyphenyl)methyl]methanesulfonamide
PubChem CID63664523
Molecular FormulaC11H16ClNO3S
Molecular Weight277.77 g/mol
Exact Mass277.05
IUPAC Name1-chloro-N-ethyl-N-[(4-methoxyphenyl)methyl]methanesulfonamide
SMILESCCN(Cc1ccc(OC)cc1)S(=O)(=O)CCl
InChIInChI=1S/C11H16ClNO3S/c1-3-13(17(14,15)9-12)8-10-4-6-11(16-2)7-5-10/h4-7H,3,8-9H2,1-2H3
InChIKeyFZSHXENOZYAOQV-UHFFFAOYSA-N
XLogP2.04
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-N-ethyl-N-[(4-methoxyphenyl)methyl]methanesulfonamide
CID 83084527
1-[[ethyl(sulfamoyl)amino]methyl]-4-methoxybenzene
CID 112686071
N,N-bis[(4-methoxyphenyl)methyl]methanesulfonamide
CID 71200548
1-amino-N,N-bis[(4-methoxyphenyl)methyl]ethanesulfonamide
CID 70852168
3,3,3-trifluoro-N,N-bis[(4-methoxyphenyl)methyl]propane-1-sulfonamide
CID 130367394
N-ethyl-N-[(4-methoxyphenyl)methyl]-2-nitrobenzenesulfonamide
CID 70293509
(2R)-N,N-bis[(4-methoxyphenyl)methyl]-1-oxobutane-2-sulfonamide;(2S)-N,N-bis[(4-methoxyphenyl)methyl]-1-oxobutane-2-sulfonamide
CID 158198081
N,N-dibenzyl-1-chloromethanesulfonamide
CID 63666157
N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
1-chloro-N-[(2-chlorophenyl)methyl]-N-ethylmethanesulfonamide
CID 63666395
(2S)-N,N-bis[(4-methoxyphenyl)methyl]-2-(1-methyl-3-oxocyclobutyl)propane-1-sulfonamide
CID 154996475
N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 122609914

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-ethyl-N-[(4-methoxyphenyl)methyl]methanesulfonamide?
The IUPAC name of 1-chloro-N-ethyl-N-[(4-methoxyphenyl)methyl]methanesulfonamide (CID 63664523) is 1-chloro-N-ethyl-N-[(4-methoxyphenyl)methyl]methanesulfonamide.
What is the SMILES notation for 1-chloro-N-ethyl-N-[(4-methoxyphenyl)methyl]methanesulfonamide?
The canonical SMILES for 1-chloro-N-ethyl-N-[(4-methoxyphenyl)methyl]methanesulfonamide is CCN(Cc1ccc(OC)cc1)S(=O)(=O)CCl.
What is the InChIKey of 1-chloro-N-ethyl-N-[(4-methoxyphenyl)methyl]methanesulfonamide?
The InChIKey is FZSHXENOZYAOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3S/c1-3-13(17(14,15)9-12)8-10-4-6-11(16-2)7-5-10/h4-7H,3,8-9H2,1-2H3.
What are the key properties of 1-chloro-N-ethyl-N-[(4-methoxyphenyl)methyl]methanesulfonamide?
1-chloro-N-ethyl-N-[(4-methoxyphenyl)methyl]methanesulfonamide has a molecular weight of 277.77 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-ethyl-N-[(4-methoxyphenyl)methyl]methanesulfonamide is sourced from PubChem (CID 63664523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).