4-chloro-2,5-dimethylbenzenesulfonamide

C8H10ClNO2S — CID 2735730

IUPAC4-chloro-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)c(C)cc1Cl
InChIInChI=1S/C8H10ClNO2S/c1-5-4-8(13(10,11)12)6(2)3-7(5)9/h3-4H,1-2H3,(H2,10,11,12)
InChIKeyYSDCIOQWHXYICL-UHFFFAOYSA-N
MW219.69 g/mol
LogP1.60
Rot. Bonds1

About 4-chloro-2,5-dimethylbenzenesulfonamide

4-chloro-2,5-dimethylbenzenesulfonamide (PubChem CID 2735730) has the molecular formula C8H10ClNO2S and a molecular weight of 219.69 g/mol. Its IUPAC name is 4-chloro-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2,5-dimethylbenzenesulfonamide
PubChem CID2735730
Molecular FormulaC8H10ClNO2S
Molecular Weight219.69 g/mol
Exact Mass219.01
IUPAC Name4-chloro-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)c(C)cc1Cl
InChIInChI=1S/C8H10ClNO2S/c1-5-4-8(13(10,11)12)6(2)3-7(5)9/h3-4H,1-2H3,(H2,10,11,12)
InChIKeyYSDCIOQWHXYICL-UHFFFAOYSA-N
XLogP1.60
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.69
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-dimethylbenzenesulfonamide?
The IUPAC name of 4-chloro-2,5-dimethylbenzenesulfonamide (CID 2735730) is 4-chloro-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for 4-chloro-2,5-dimethylbenzenesulfonamide is Cc1cc(S(N)(=O)=O)c(C)cc1Cl.
What is the InChIKey of 4-chloro-2,5-dimethylbenzenesulfonamide?
The InChIKey is YSDCIOQWHXYICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO2S/c1-5-4-8(13(10,11)12)6(2)3-7(5)9/h3-4H,1-2H3,(H2,10,11,12).
What are the key properties of 4-chloro-2,5-dimethylbenzenesulfonamide?
4-chloro-2,5-dimethylbenzenesulfonamide has a molecular weight of 219.69 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 2735730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).