2-chloro-N,4-dimethylbenzenesulfonamide

C8H10ClNO2S — CID 32673216

IUPAC2-chloro-N,4-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C)cc1Cl
InChIInChI=1S/C8H10ClNO2S/c1-6-3-4-8(7(9)5-6)13(11,12)10-2/h3-5,10H,1-2H3
InChIKeyOFZGRMUBIACBAY-UHFFFAOYSA-N
MW219.69 g/mol
LogP1.56
Rot. Bonds2

About 2-chloro-N,4-dimethylbenzenesulfonamide

2-chloro-N,4-dimethylbenzenesulfonamide (PubChem CID 32673216) has the molecular formula C8H10ClNO2S and a molecular weight of 219.69 g/mol. Its IUPAC name is 2-chloro-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N,4-dimethylbenzenesulfonamide
PubChem CID32673216
Molecular FormulaC8H10ClNO2S
Molecular Weight219.69 g/mol
Exact Mass219.01
IUPAC Name2-chloro-N,4-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C)cc1Cl
InChIInChI=1S/C8H10ClNO2S/c1-6-3-4-8(7(9)5-6)13(11,12)10-2/h3-5,10H,1-2H3
InChIKeyOFZGRMUBIACBAY-UHFFFAOYSA-N
XLogP1.56
TPSA46.17 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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,4-dimethylbenzenesulfonamide?
The IUPAC name of 2-chloro-N,4-dimethylbenzenesulfonamide (CID 32673216) is 2-chloro-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for 2-chloro-N,4-dimethylbenzenesulfonamide is CNS(=O)(=O)c1ccc(C)cc1Cl.
What is the InChIKey of 2-chloro-N,4-dimethylbenzenesulfonamide?
The InChIKey is OFZGRMUBIACBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO2S/c1-6-3-4-8(7(9)5-6)13(11,12)10-2/h3-5,10H,1-2H3.
What are the key properties of 2-chloro-N,4-dimethylbenzenesulfonamide?
2-chloro-N,4-dimethylbenzenesulfonamide has a molecular weight of 219.69 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 32673216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).