5-amino-2-(2,6-difluoroanilino)-N-methylbenzenesulfonamide

C13H13F2N3O2S — CID 103286692

IUPAC5-amino-2-(2,6-difluoroanilino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1Nc1c(F)cccc1F
InChIInChI=1S/C13H13F2N3O2S/c1-17-21(19,20)12-7-8(16)5-6-11(12)18-13-9(14)3-2-4-10(13)15/h2-7,17-18H,16H2,1H3
InChIKeyCNPUCJAOSZDQQX-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.20
Rot. Bonds4

About 5-amino-2-(2,6-difluoroanilino)-N-methylbenzenesulfonamide

5-amino-2-(2,6-difluoroanilino)-N-methylbenzenesulfonamide (PubChem CID 103286692) has the molecular formula C13H13F2N3O2S and a molecular weight of 313.33 g/mol. Its IUPAC name is 5-amino-2-(2,6-difluoroanilino)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-(2,6-difluoroanilino)-N-methylbenzenesulfonamide
PubChem CID103286692
Molecular FormulaC13H13F2N3O2S
Molecular Weight313.33 g/mol
Exact Mass313.07
IUPAC Name5-amino-2-(2,6-difluoroanilino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1Nc1c(F)cccc1F
InChIInChI=1S/C13H13F2N3O2S/c1-17-21(19,20)12-7-8(16)5-6-11(12)18-13-9(14)3-2-4-10(13)15/h2-7,17-18H,16H2,1H3
InChIKeyCNPUCJAOSZDQQX-UHFFFAOYSA-N
XLogP2.20
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-(2-bromo-6-fluoroanilino)-N-methylbenzenesulfonamide
CID 107596756
5-amino-2-(4-fluoro-3-methylanilino)-N-methylbenzenesulfonamide
CID 103287011
5-amino-N-methyl-2-(3-methylanilino)benzenesulfonamide
CID 103286682
5-amino-N-methyl-2-(2-methylanilino)benzenesulfonamide
CID 103286687
5-amino-3-fluoro-N,2-dimethylbenzenesulfonamide
CID 79897066
1-N-(2,6-difluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 60926447
5-amino-2-bromo-N-(2,6-difluorophenyl)benzenesulfonamide
CID 65202383
5-amino-2-[(4-fluorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 103286616
5-amino-N-methyl-2-(2,4,4-trimethylpentan-2-ylamino)benzenesulfonamide
CID 103286934
2-(difluoromethyl)-1-N-(2,6-difluorophenyl)benzene-1,4-diamine
CID 63748294
5-amino-2-[(3-hydroxy-2-methylbutan-2-yl)amino]-N-methylbenzenesulfonamide
CID 103287457
5-amino-2-(cyclobutylamino)-N-methylbenzenesulfonamide
CID 103286994

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2,6-difluoroanilino)-N-methylbenzenesulfonamide?
The IUPAC name of 5-amino-2-(2,6-difluoroanilino)-N-methylbenzenesulfonamide (CID 103286692) is 5-amino-2-(2,6-difluoroanilino)-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-(2,6-difluoroanilino)-N-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-(2,6-difluoroanilino)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cc(N)ccc1Nc1c(F)cccc1F.
What is the InChIKey of 5-amino-2-(2,6-difluoroanilino)-N-methylbenzenesulfonamide?
The InChIKey is CNPUCJAOSZDQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O2S/c1-17-21(19,20)12-7-8(16)5-6-11(12)18-13-9(14)3-2-4-10(13)15/h2-7,17-18H,16H2,1H3.
What are the key properties of 5-amino-2-(2,6-difluoroanilino)-N-methylbenzenesulfonamide?
5-amino-2-(2,6-difluoroanilino)-N-methylbenzenesulfonamide has a molecular weight of 313.33 g/mol, XLogP of 2.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2,6-difluoroanilino)-N-methylbenzenesulfonamide is sourced from PubChem (CID 103286692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).