3-chloro-N,N-dimethylbenzenesulfonamide

C8H10ClNO2S — CID 14774739

IUPAC3-chloro-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C8H10ClNO2S/c1-10(2)13(11,12)8-5-3-4-7(9)6-8/h3-6H,1-2H3
InChIKeyXLQKZEOINNDMTR-UHFFFAOYSA-N
MW219.69 g/mol
LogP1.59
Rot. Bonds2

About 3-chloro-N,N-dimethylbenzenesulfonamide

3-chloro-N,N-dimethylbenzenesulfonamide (PubChem CID 14774739) has the molecular formula C8H10ClNO2S and a molecular weight of 219.69 g/mol. Its IUPAC name is 3-chloro-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N,N-dimethylbenzenesulfonamide
PubChem CID14774739
Molecular FormulaC8H10ClNO2S
Molecular Weight219.69 g/mol
Exact Mass219.01
IUPAC Name3-chloro-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C8H10ClNO2S/c1-10(2)13(11,12)8-5-3-4-7(9)6-8/h3-6H,1-2H3
InChIKeyXLQKZEOINNDMTR-UHFFFAOYSA-N
XLogP1.59
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.69
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-chloro-N,N-dimethylbenzenesulfonamide (CID 14774739) is 3-chloro-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N,N-dimethylbenzenesulfonamide?
The InChIKey is XLQKZEOINNDMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO2S/c1-10(2)13(11,12)8-5-3-4-7(9)6-8/h3-6H,1-2H3.
What are the key properties of 3-chloro-N,N-dimethylbenzenesulfonamide?
3-chloro-N,N-dimethylbenzenesulfonamide has a molecular weight of 219.69 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 14774739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).