[4-(chloromethylsulfonylamino)phenyl]methanesulfonamide

C8H11ClN2O4S2 — CID 63666418

IUPAC[4-(chloromethylsulfonylamino)phenyl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc(NS(=O)(=O)CCl)cc1
InChIInChI=1S/C8H11ClN2O4S2/c9-6-17(14,15)11-8-3-1-7(2-4-8)5-16(10,12)13/h1-4,11H,5-6H2,(H2,10,12,13)
InChIKeyQZWARPILNQTIOZ-UHFFFAOYSA-N
MW298.77 g/mol
LogP0.41
Rot. Bonds5

About [4-(chloromethylsulfonylamino)phenyl]methanesulfonamide

[4-(chloromethylsulfonylamino)phenyl]methanesulfonamide (PubChem CID 63666418) has the molecular formula C8H11ClN2O4S2 and a molecular weight of 298.77 g/mol. Its IUPAC name is [4-(chloromethylsulfonylamino)phenyl]methanesulfonamide.

Molecular Properties

Compound Name[4-(chloromethylsulfonylamino)phenyl]methanesulfonamide
PubChem CID63666418
Molecular FormulaC8H11ClN2O4S2
Molecular Weight298.77 g/mol
Exact Mass297.98
IUPAC Name[4-(chloromethylsulfonylamino)phenyl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc(NS(=O)(=O)CCl)cc1
InChIInChI=1S/C8H11ClN2O4S2/c9-6-17(14,15)11-8-3-1-7(2-4-8)5-16(10,12)13/h1-4,11H,5-6H2,(H2,10,12,13)
InChIKeyQZWARPILNQTIOZ-UHFFFAOYSA-N
XLogP0.41
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-N-[4-[4-(chloromethylsulfonylamino)phenyl]phenyl]methanesulfonamide
CID 163924454
4-[[4-(sulfamoylmethyl)phenyl]sulfamoyl]butanoic acid
CID 43715118
1-chloro-N-(4-hydroxyphenyl)methanesulfonamide
CID 63666171
[4-(chloromethylsulfonylamino)phenyl]urea
CID 63666209
[4-(ethylamino)phenyl]methanesulfonamide
CID 43745283
5-chloro-N-[4-(sulfamoylmethyl)phenyl]thiophene-2-sulfonamide
CID 24650329
[4-[(4-bromophenyl)methylamino]phenyl]methanesulfonamide
CID 43745169
(4-fluorophenyl)methanesulfonamide
CID 16785078
ethyl N-[4-(chloromethylsulfonylamino)phenyl]carbamate
CID 55245640
[4-(cyclopropylmethylamino)phenyl]methanesulfonamide
CID 43745277
1-chloro-N-(3-fluoro-4-hydroxyphenyl)methanesulfonamide
CID 64782624
1-chloro-N-(4-pyrrolidin-1-ylphenyl)methanesulfonamide
CID 63666007

Frequently Asked Questions

What is the IUPAC name of [4-(chloromethylsulfonylamino)phenyl]methanesulfonamide?
The IUPAC name of [4-(chloromethylsulfonylamino)phenyl]methanesulfonamide (CID 63666418) is [4-(chloromethylsulfonylamino)phenyl]methanesulfonamide.
What is the SMILES notation for [4-(chloromethylsulfonylamino)phenyl]methanesulfonamide?
The canonical SMILES for [4-(chloromethylsulfonylamino)phenyl]methanesulfonamide is NS(=O)(=O)Cc1ccc(NS(=O)(=O)CCl)cc1.
What is the InChIKey of [4-(chloromethylsulfonylamino)phenyl]methanesulfonamide?
The InChIKey is QZWARPILNQTIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O4S2/c9-6-17(14,15)11-8-3-1-7(2-4-8)5-16(10,12)13/h1-4,11H,5-6H2,(H2,10,12,13).
What are the key properties of [4-(chloromethylsulfonylamino)phenyl]methanesulfonamide?
[4-(chloromethylsulfonylamino)phenyl]methanesulfonamide has a molecular weight of 298.77 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(chloromethylsulfonylamino)phenyl]methanesulfonamide is sourced from PubChem (CID 63666418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).