4-chloro-N,3-dimethylbenzenesulfonamide

C8H10ClNO2S — CID 50876568

IUPAC4-chloro-N,3-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Cl)c(C)c1
InChIInChI=1S/C8H10ClNO2S/c1-6-5-7(3-4-8(6)9)13(11,12)10-2/h3-5,10H,1-2H3
InChIKeyAHVAJUFYDKIYFI-UHFFFAOYSA-N
MW219.69 g/mol
LogP1.56
Rot. Bonds2

About 4-chloro-N,3-dimethylbenzenesulfonamide

4-chloro-N,3-dimethylbenzenesulfonamide (PubChem CID 50876568) has the molecular formula C8H10ClNO2S and a molecular weight of 219.69 g/mol. Its IUPAC name is 4-chloro-N,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N,3-dimethylbenzenesulfonamide
PubChem CID50876568
Molecular FormulaC8H10ClNO2S
Molecular Weight219.69 g/mol
Exact Mass219.01
IUPAC Name4-chloro-N,3-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Cl)c(C)c1
InChIInChI=1S/C8H10ClNO2S/c1-6-5-7(3-4-8(6)9)13(11,12)10-2/h3-5,10H,1-2H3
InChIKeyAHVAJUFYDKIYFI-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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Related Compounds

4-chloro-3-methylbenzenesulfonohydrazide
CID 82079936
4-chloro-3-methyl-N-propan-2-ylbenzenesulfonamide
CID 39845241
4-chloro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide
CID 25049689
4-chloro-N-(3-chloro-4-methylphenyl)-3-methylbenzenesulfonamide
CID 16644802
4-chloro-N-(2-chlorophenyl)-3-methylbenzenesulfonamide
CID 839413
4-chloro-N-(cyanomethyl)-3-methylbenzenesulfonamide
CID 82294521
2-(4-chloro-3-methylphenyl)sulfonyl-N-methylpropan-2-amine
CID 117036804
4-chloro-N-(4-hydroxyphenyl)-3-methylbenzenesulfonamide
CID 697402
N-(4-bromophenyl)-4-chloro-3-methylbenzenesulfonamide
CID 7718536
4-N,2-dimethylbenzene-1,4-disulfonamide
CID 162500455
3-chloro-4-ethyl-N-methylbenzenesulfonamide
CID 149042706
N,3-dimethyl-4-propan-2-ylbenzenesulfonamide
CID 70996925

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,3-dimethylbenzenesulfonamide?
The IUPAC name of 4-chloro-N,3-dimethylbenzenesulfonamide (CID 50876568) is 4-chloro-N,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N,3-dimethylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N,3-dimethylbenzenesulfonamide is CNS(=O)(=O)c1ccc(Cl)c(C)c1.
What is the InChIKey of 4-chloro-N,3-dimethylbenzenesulfonamide?
The InChIKey is AHVAJUFYDKIYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO2S/c1-6-5-7(3-4-8(6)9)13(11,12)10-2/h3-5,10H,1-2H3.
What are the key properties of 4-chloro-N,3-dimethylbenzenesulfonamide?
4-chloro-N,3-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 4-chloro-N,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 50876568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).