2-(3-chloro-4-fluoroanilino)-N-methylbenzenesulfonamide

C13H12ClFN2O2S — CID 43454338

IUPAC2-(3-chloro-4-fluoroanilino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H12ClFN2O2S/c1-16-20(18,19)13-5-3-2-4-12(13)17-9-6-7-11(15)10(14)8-9/h2-8,16-17H,1H3
InChIKeyUDQHZNXQFFACPE-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.13
Rot. Bonds4

About 2-(3-chloro-4-fluoroanilino)-N-methylbenzenesulfonamide

2-(3-chloro-4-fluoroanilino)-N-methylbenzenesulfonamide (PubChem CID 43454338) has the molecular formula C13H12ClFN2O2S and a molecular weight of 314.77 g/mol. Its IUPAC name is 2-(3-chloro-4-fluoroanilino)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluoroanilino)-N-methylbenzenesulfonamide
PubChem CID43454338
Molecular FormulaC13H12ClFN2O2S
Molecular Weight314.77 g/mol
Exact Mass314.03
IUPAC Name2-(3-chloro-4-fluoroanilino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H12ClFN2O2S/c1-16-20(18,19)13-5-3-2-4-12(13)17-9-6-7-11(15)10(14)8-9/h2-8,16-17H,1H3
InChIKeyUDQHZNXQFFACPE-UHFFFAOYSA-N
XLogP3.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(3-chloro-4-fluoroanilino)benzenesulfonamide
CID 115992341
2-amino-4-(2,5-dichloroanilino)-N-methylbenzenesulfonamide
CID 80640845
5-amino-2-(4-fluoro-3-methylanilino)-N-methylbenzenesulfonamide
CID 103287011
4-chloro-N-(3-chloro-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 4849983
5-amino-2-(4-bromo-3-chloroanilino)-N-methylbenzenesulfonamide
CID 107618570
2-chloro-4-(2-methylsulfonylanilino)benzoic acid
CID 61399248
N-(3-chloro-4-fluorophenyl)-2,3,4-trifluoroaniline
CID 82536183
N-(4-chloro-3-fluorophenyl)-2-(ethylamino)benzenesulfonamide
CID 62153791
2-(3-chloro-4-fluoroanilino)pyridine-3-sulfonamide
CID 53151387
3-chloro-4-fluoro-N-methylaniline;ethane
CID 142993697
4-chloro-1-N,2-N-dimethylbenzene-1,2-disulfonamide
CID 124926790
4-amino-3-(4-chloro-3-fluoroanilino)-N-methylbenzenesulfonamide
CID 82898391

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluoroanilino)-N-methylbenzenesulfonamide?
The IUPAC name of 2-(3-chloro-4-fluoroanilino)-N-methylbenzenesulfonamide (CID 43454338) is 2-(3-chloro-4-fluoroanilino)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-(3-chloro-4-fluoroanilino)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-(3-chloro-4-fluoroanilino)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccccc1Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluoroanilino)-N-methylbenzenesulfonamide?
The InChIKey is UDQHZNXQFFACPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O2S/c1-16-20(18,19)13-5-3-2-4-12(13)17-9-6-7-11(15)10(14)8-9/h2-8,16-17H,1H3.
What are the key properties of 2-(3-chloro-4-fluoroanilino)-N-methylbenzenesulfonamide?
2-(3-chloro-4-fluoroanilino)-N-methylbenzenesulfonamide has a molecular weight of 314.77 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluoroanilino)-N-methylbenzenesulfonamide is sourced from PubChem (CID 43454338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).