chloro-(4-methylphenyl)methanesulfonamide

C8H10ClNO2S — CID 146442868

IUPACchloro-(4-methylphenyl)methanesulfonamide
SMILESCc1ccc(C(Cl)S(N)(=O)=O)cc1
InChIInChI=1S/C8H10ClNO2S/c1-6-2-4-7(5-3-6)8(9)13(10,11)12/h2-5,8H,1H3,(H2,10,11,12)
InChIKeyYQIKMZDMXHMXBX-UHFFFAOYSA-N
MW219.69 g/mol
LogP1.52
Rot. Bonds2

About chloro-(4-methylphenyl)methanesulfonamide

chloro-(4-methylphenyl)methanesulfonamide (PubChem CID 146442868) has the molecular formula C8H10ClNO2S and a molecular weight of 219.69 g/mol. Its IUPAC name is chloro-(4-methylphenyl)methanesulfonamide.

Molecular Properties

Compound Namechloro-(4-methylphenyl)methanesulfonamide
PubChem CID146442868
Molecular FormulaC8H10ClNO2S
Molecular Weight219.69 g/mol
Exact Mass219.01
IUPAC Namechloro-(4-methylphenyl)methanesulfonamide
SMILESCc1ccc(C(Cl)S(N)(=O)=O)cc1
InChIInChI=1S/C8H10ClNO2S/c1-6-2-4-7(5-3-6)8(9)13(10,11)12/h2-5,8H,1H3,(H2,10,11,12)
InChIKeyYQIKMZDMXHMXBX-UHFFFAOYSA-N
XLogP1.52
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.69
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethylsulfonyl-1-(4-methylphenyl)ethanamine
CID 64646967
1-(1-chloro-2-methylsulfonylpropyl)-4-methylbenzene
CID 104521294
1-(4-methylphenyl)-3-methylsulfonylpropan-1-amine
CID 62608341
1,1-dichloroethane;1,4-xylene
CID 70558607
1-(3,4-dimethylphenyl)ethanesulfonamide
CID 62083506
bis(4-methylbenzenesulfonamide);selane
CID 173300479
methane;4-methylbenzenesulfonamide
CID 66673954
2-(benzenesulfonyl)-2-(4-methylphenyl)acetonitrile
CID 10400985
2-fluoro-2-(4-methylphenyl)ethanesulfonyl chloride
CID 105498377
sulfuric acid;1,4-xylene
CID 18423372
CID 158402729
CID 158402729
1-methyl-4-(4-propan-2-ylphenyl)sulfonylbenzene
CID 12648459

Frequently Asked Questions

What is the IUPAC name of chloro-(4-methylphenyl)methanesulfonamide?
The IUPAC name of chloro-(4-methylphenyl)methanesulfonamide (CID 146442868) is chloro-(4-methylphenyl)methanesulfonamide.
What is the SMILES notation for chloro-(4-methylphenyl)methanesulfonamide?
The canonical SMILES for chloro-(4-methylphenyl)methanesulfonamide is Cc1ccc(C(Cl)S(N)(=O)=O)cc1.
What is the InChIKey of chloro-(4-methylphenyl)methanesulfonamide?
The InChIKey is YQIKMZDMXHMXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO2S/c1-6-2-4-7(5-3-6)8(9)13(10,11)12/h2-5,8H,1H3,(H2,10,11,12).
What are the key properties of chloro-(4-methylphenyl)methanesulfonamide?
chloro-(4-methylphenyl)methanesulfonamide has a molecular weight of 219.69 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(4-methylphenyl)methanesulfonamide is sourced from PubChem (CID 146442868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).