1-chloro-N-[2-[(dimethylamino)methyl]phenyl]methanesulfonamide

C10H15ClN2O2S — CID 63665572

IUPAC1-chloro-N-[2-[(dimethylamino)methyl]phenyl]methanesulfonamide
SMILESCN(C)Cc1ccccc1NS(=O)(=O)CCl
InChIInChI=1S/C10H15ClN2O2S/c1-13(2)7-9-5-3-4-6-10(9)12-16(14,15)8-11/h3-6,12H,7-8H2,1-2H3
InChIKeyOLRJIXZUPOYHSR-UHFFFAOYSA-N
MW262.76 g/mol
LogP1.69
Rot. Bonds5

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

1-chloro-N-[2-[(dimethylamino)methyl]phenyl]methanesulfonamide (PubChem CID 63665572) has the molecular formula C10H15ClN2O2S and a molecular weight of 262.76 g/mol. Its IUPAC name is 1-chloro-N-[2-[(dimethylamino)methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-[2-[(dimethylamino)methyl]phenyl]methanesulfonamide
PubChem CID63665572
Molecular FormulaC10H15ClN2O2S
Molecular Weight262.76 g/mol
Exact Mass262.05
IUPAC Name1-chloro-N-[2-[(dimethylamino)methyl]phenyl]methanesulfonamide
SMILESCN(C)Cc1ccccc1NS(=O)(=O)CCl
InChIInChI=1S/C10H15ClN2O2S/c1-13(2)7-9-5-3-4-6-10(9)12-16(14,15)8-11/h3-6,12H,7-8H2,1-2H3
InChIKeyOLRJIXZUPOYHSR-UHFFFAOYSA-N
XLogP1.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 51.69
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-(methoxymethyl)phenyl]methanesulfonamide
CID 63664132
1-chloro-N-[2-(2-methoxyethyl)phenyl]methanesulfonamide
CID 102907633
1-chloro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]methanesulfonamide
CID 63666626
N-[2-[(dimethylamino)methyl]-4-methylphenyl]-2-phenylethanesulfonamide
CID 71920934
N-[2-[(dimethylamino)methyl]phenyl]-1-benzofuran-2-sulfonamide
CID 154864109
1-chloro-N-(2,3-dimethylphenyl)methanesulfonamide
CID 63665725
N-[2-[(dimethylamino)methyl]phenyl]acetamide;ethane
CID 142252989
1-chloro-N-(2-methyl-3-pyridinyl)methanesulfonamide
CID 79043239
1-[2-(chloromethyl)phenyl]-N,N-dimethylmethanamine
CID 14459148
3-[[2-[[acetyl(methyl)amino]methyl]phenyl]sulfamoyl]propanoic acid
CID 43708606
1-chloro-N-[2-(2-methylpropoxy)phenyl]methanesulfonamide
CID 63664348
2-N,6-N-bis[2-[(dimethylamino)methyl]phenyl]pyridine-2,6-dicarboxamide
CID 38435626

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[2-[(dimethylamino)methyl]phenyl]methanesulfonamide?
The IUPAC name of 1-chloro-N-[2-[(dimethylamino)methyl]phenyl]methanesulfonamide (CID 63665572) is 1-chloro-N-[2-[(dimethylamino)methyl]phenyl]methanesulfonamide.
What is the SMILES notation for 1-chloro-N-[2-[(dimethylamino)methyl]phenyl]methanesulfonamide?
The canonical SMILES for 1-chloro-N-[2-[(dimethylamino)methyl]phenyl]methanesulfonamide is CN(C)Cc1ccccc1NS(=O)(=O)CCl.
What is the InChIKey of 1-chloro-N-[2-[(dimethylamino)methyl]phenyl]methanesulfonamide?
The InChIKey is OLRJIXZUPOYHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2S/c1-13(2)7-9-5-3-4-6-10(9)12-16(14,15)8-11/h3-6,12H,7-8H2,1-2H3.
What are the key properties of 1-chloro-N-[2-[(dimethylamino)methyl]phenyl]methanesulfonamide?
1-chloro-N-[2-[(dimethylamino)methyl]phenyl]methanesulfonamide has a molecular weight of 262.76 g/mol, XLogP of 1.69, 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-[(dimethylamino)methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 63665572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).