5-amino-2,3-difluoro-N-hexan-3-ylbenzenesulfonamide

C12H18F2N2O2S — CID 65021029

IUPAC5-amino-2,3-difluoro-N-hexan-3-ylbenzenesulfonamide
SMILESCCCC(CC)NS(=O)(=O)c1cc(N)cc(F)c1F
InChIInChI=1S/C12H18F2N2O2S/c1-3-5-9(4-2)16-19(17,18)11-7-8(15)6-10(13)12(11)14/h6-7,9,16H,3-5,15H2,1-2H3
InChIKeyDNQYKYQLTJVDHD-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.40
Rot. Bonds6

About 5-amino-2,3-difluoro-N-hexan-3-ylbenzenesulfonamide

5-amino-2,3-difluoro-N-hexan-3-ylbenzenesulfonamide (PubChem CID 65021029) has the molecular formula C12H18F2N2O2S and a molecular weight of 292.35 g/mol. Its IUPAC name is 5-amino-2,3-difluoro-N-hexan-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2,3-difluoro-N-hexan-3-ylbenzenesulfonamide
PubChem CID65021029
Molecular FormulaC12H18F2N2O2S
Molecular Weight292.35 g/mol
Exact Mass292.11
IUPAC Name5-amino-2,3-difluoro-N-hexan-3-ylbenzenesulfonamide
SMILESCCCC(CC)NS(=O)(=O)c1cc(N)cc(F)c1F
InChIInChI=1S/C12H18F2N2O2S/c1-3-5-9(4-2)16-19(17,18)11-7-8(15)6-10(13)12(11)14/h6-7,9,16H,3-5,15H2,1-2H3
InChIKeyDNQYKYQLTJVDHD-UHFFFAOYSA-N
XLogP2.40
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2,3-difluoro-N-(1-methoxybutan-2-yl)benzenesulfonamide
CID 65022203
5-amino-N-(1,3-dihydroxypropan-2-yl)-2,3-difluorobenzenesulfonamide
CID 65310162
5-amino-2,3-difluoro-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 65023136
5-amino-2-ethoxy-N-hexan-3-ylbenzenesulfonamide
CID 62118600
5-amino-2,3-difluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 106113511
3-amino-5-chloro-N-hexan-3-yl-2-methylbenzenesulfonamide
CID 114379488
3-fluoro-N-hexan-3-yl-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106055381
5-amino-2-fluoro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93081189
5-(aminomethyl)-2,3-difluoro-N-(1-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 106083895
4-amino-N-hexan-3-yl-2-nitrobenzenesulfonamide
CID 62145819
3-amino-N-hexan-3-yl-2-methylbenzenesulfonamide
CID 62118151
4-amino-2,6-dibromo-N-octan-4-ylbenzenesulfonamide
CID 106022120

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-difluoro-N-hexan-3-ylbenzenesulfonamide?
The IUPAC name of 5-amino-2,3-difluoro-N-hexan-3-ylbenzenesulfonamide (CID 65021029) is 5-amino-2,3-difluoro-N-hexan-3-ylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2,3-difluoro-N-hexan-3-ylbenzenesulfonamide?
The canonical SMILES for 5-amino-2,3-difluoro-N-hexan-3-ylbenzenesulfonamide is CCCC(CC)NS(=O)(=O)c1cc(N)cc(F)c1F.
What is the InChIKey of 5-amino-2,3-difluoro-N-hexan-3-ylbenzenesulfonamide?
The InChIKey is DNQYKYQLTJVDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O2S/c1-3-5-9(4-2)16-19(17,18)11-7-8(15)6-10(13)12(11)14/h6-7,9,16H,3-5,15H2,1-2H3.
What are the key properties of 5-amino-2,3-difluoro-N-hexan-3-ylbenzenesulfonamide?
5-amino-2,3-difluoro-N-hexan-3-ylbenzenesulfonamide has a molecular weight of 292.35 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-difluoro-N-hexan-3-ylbenzenesulfonamide is sourced from PubChem (CID 65021029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).