3-amino-2,4-difluoro-N-octan-2-ylbenzenesulfonamide

C14H22F2N2O2S — CID 107343405

IUPAC3-amino-2,4-difluoro-N-octan-2-ylbenzenesulfonamide
SMILESCCCCCCC(C)NS(=O)(=O)c1ccc(F)c(N)c1F
InChIInChI=1S/C14H22F2N2O2S/c1-3-4-5-6-7-10(2)18-21(19,20)12-9-8-11(15)14(17)13(12)16/h8-10,18H,3-7,17H2,1-2H3
InChIKeyIADMEBWXJVPLOZ-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.18
Rot. Bonds8

About 3-amino-2,4-difluoro-N-octan-2-ylbenzenesulfonamide

3-amino-2,4-difluoro-N-octan-2-ylbenzenesulfonamide (PubChem CID 107343405) has the molecular formula C14H22F2N2O2S and a molecular weight of 320.40 g/mol. Its IUPAC name is 3-amino-2,4-difluoro-N-octan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,4-difluoro-N-octan-2-ylbenzenesulfonamide
PubChem CID107343405
Molecular FormulaC14H22F2N2O2S
Molecular Weight320.40 g/mol
Exact Mass320.14
IUPAC Name3-amino-2,4-difluoro-N-octan-2-ylbenzenesulfonamide
SMILESCCCCCCC(C)NS(=O)(=O)c1ccc(F)c(N)c1F
InChIInChI=1S/C14H22F2N2O2S/c1-3-4-5-6-7-10(2)18-21(19,20)12-9-8-11(15)14(17)13(12)16/h8-10,18H,3-7,17H2,1-2H3
InChIKeyIADMEBWXJVPLOZ-UHFFFAOYSA-N
XLogP3.18
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2,4-difluoro-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 107343293
2-amino-5-chloro-N-octan-2-ylbenzenesulfonamide
CID 63402410
3-amino-4-bromo-5-chloro-2-fluoro-N-heptan-2-ylbenzenesulfonamide
CID 103077309
2,6-difluoro-3-(hexan-2-ylsulfamoyl)benzoic acid
CID 62199651
4-amino-N-octan-2-ylbenzenesulfonamide
CID 61476612
3-amino-4-fluoro-N-heptan-2-yl-5-methylbenzenesulfonamide
CID 115421268
2-hydroxy-N-octan-2-ylbenzenesulfonamide
CID 81241205
2-amino-5-fluoro-N-hexan-2-ylbenzenesulfonamide
CID 62196910
4-bromo-2-fluoro-N-hexan-2-ylbenzenesulfonamide
CID 116528564
3-amino-2,4-difluoro-N-(3-methylbutyl)benzenesulfonamide
CID 107343096
2-fluoro-5-(heptan-2-ylsulfamoyl)benzenecarbothioamide
CID 63288607
4-(aminomethyl)-N-octan-2-ylbenzenesulfonamide
CID 61476963

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,4-difluoro-N-octan-2-ylbenzenesulfonamide?
The IUPAC name of 3-amino-2,4-difluoro-N-octan-2-ylbenzenesulfonamide (CID 107343405) is 3-amino-2,4-difluoro-N-octan-2-ylbenzenesulfonamide.
What is the SMILES notation for 3-amino-2,4-difluoro-N-octan-2-ylbenzenesulfonamide?
The canonical SMILES for 3-amino-2,4-difluoro-N-octan-2-ylbenzenesulfonamide is CCCCCCC(C)NS(=O)(=O)c1ccc(F)c(N)c1F.
What is the InChIKey of 3-amino-2,4-difluoro-N-octan-2-ylbenzenesulfonamide?
The InChIKey is IADMEBWXJVPLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2O2S/c1-3-4-5-6-7-10(2)18-21(19,20)12-9-8-11(15)14(17)13(12)16/h8-10,18H,3-7,17H2,1-2H3.
What are the key properties of 3-amino-2,4-difluoro-N-octan-2-ylbenzenesulfonamide?
3-amino-2,4-difluoro-N-octan-2-ylbenzenesulfonamide has a molecular weight of 320.40 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,4-difluoro-N-octan-2-ylbenzenesulfonamide is sourced from PubChem (CID 107343405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).