2-chloro-4,5-dimethylbenzenesulfonamide

C8H10ClNO2S — CID 115480609

IUPAC2-chloro-4,5-dimethylbenzenesulfonamide
SMILESCc1cc(Cl)c(S(N)(=O)=O)cc1C
InChIInChI=1S/C8H10ClNO2S/c1-5-3-7(9)8(4-6(5)2)13(10,11)12/h3-4H,1-2H3,(H2,10,11,12)
InChIKeyLXSHEYPRROECGC-UHFFFAOYSA-N
MW219.69 g/mol
LogP1.60
Rot. Bonds1

About 2-chloro-4,5-dimethylbenzenesulfonamide

2-chloro-4,5-dimethylbenzenesulfonamide (PubChem CID 115480609) has the molecular formula C8H10ClNO2S and a molecular weight of 219.69 g/mol. Its IUPAC name is 2-chloro-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4,5-dimethylbenzenesulfonamide
PubChem CID115480609
Molecular FormulaC8H10ClNO2S
Molecular Weight219.69 g/mol
Exact Mass219.01
IUPAC Name2-chloro-4,5-dimethylbenzenesulfonamide
SMILESCc1cc(Cl)c(S(N)(=O)=O)cc1C
InChIInChI=1S/C8H10ClNO2S/c1-5-3-7(9)8(4-6(5)2)13(10,11)12/h3-4H,1-2H3,(H2,10,11,12)
InChIKeyLXSHEYPRROECGC-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 2-chloro-4,5-dimethylbenzenesulfonamide?
The IUPAC name of 2-chloro-4,5-dimethylbenzenesulfonamide (CID 115480609) is 2-chloro-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for 2-chloro-4,5-dimethylbenzenesulfonamide is Cc1cc(Cl)c(S(N)(=O)=O)cc1C.
What is the InChIKey of 2-chloro-4,5-dimethylbenzenesulfonamide?
The InChIKey is LXSHEYPRROECGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO2S/c1-5-3-7(9)8(4-6(5)2)13(10,11)12/h3-4H,1-2H3,(H2,10,11,12).
What are the key properties of 2-chloro-4,5-dimethylbenzenesulfonamide?
2-chloro-4,5-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 2-chloro-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 115480609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).