[2-chloro-1-(dimethylsulfamoylamino)ethyl]benzene

C10H15ClN2O2S — CID 65030819

IUPAC[2-chloro-1-(dimethylsulfamoylamino)ethyl]benzene
SMILESCN(C)S(=O)(=O)NC(CCl)c1ccccc1
InChIInChI=1S/C10H15ClN2O2S/c1-13(2)16(14,15)12-10(8-11)9-6-4-3-5-7-9/h3-7,10,12H,8H2,1-2H3
InChIKeyYCZNZUIMVOOBIT-UHFFFAOYSA-N
MW262.76 g/mol
LogP1.36
Rot. Bonds5

About [2-chloro-1-(dimethylsulfamoylamino)ethyl]benzene

[2-chloro-1-(dimethylsulfamoylamino)ethyl]benzene (PubChem CID 65030819) has the molecular formula C10H15ClN2O2S and a molecular weight of 262.76 g/mol. Its IUPAC name is [2-chloro-1-(dimethylsulfamoylamino)ethyl]benzene.

Molecular Properties

Compound Name[2-chloro-1-(dimethylsulfamoylamino)ethyl]benzene
PubChem CID65030819
Molecular FormulaC10H15ClN2O2S
Molecular Weight262.76 g/mol
Exact Mass262.05
IUPAC Name[2-chloro-1-(dimethylsulfamoylamino)ethyl]benzene
SMILESCN(C)S(=O)(=O)NC(CCl)c1ccccc1
InChIInChI=1S/C10H15ClN2O2S/c1-13(2)16(14,15)12-10(8-11)9-6-4-3-5-7-9/h3-7,10,12H,8H2,1-2H3
InChIKeyYCZNZUIMVOOBIT-UHFFFAOYSA-N
XLogP1.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-1-(dimethylsulfamoylamino)ethyl]benzene?
The IUPAC name of [2-chloro-1-(dimethylsulfamoylamino)ethyl]benzene (CID 65030819) is [2-chloro-1-(dimethylsulfamoylamino)ethyl]benzene.
What is the SMILES notation for [2-chloro-1-(dimethylsulfamoylamino)ethyl]benzene?
The canonical SMILES for [2-chloro-1-(dimethylsulfamoylamino)ethyl]benzene is CN(C)S(=O)(=O)NC(CCl)c1ccccc1.
What is the InChIKey of [2-chloro-1-(dimethylsulfamoylamino)ethyl]benzene?
The InChIKey is YCZNZUIMVOOBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2S/c1-13(2)16(14,15)12-10(8-11)9-6-4-3-5-7-9/h3-7,10,12H,8H2,1-2H3.
What are the key properties of [2-chloro-1-(dimethylsulfamoylamino)ethyl]benzene?
[2-chloro-1-(dimethylsulfamoylamino)ethyl]benzene has a molecular weight of 262.76 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-1-(dimethylsulfamoylamino)ethyl]benzene is sourced from PubChem (CID 65030819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).