4-amino-2,6-difluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide

C13H20F2N2O3S — CID 106113473

IUPAC4-amino-2,6-difluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
SMILESCCCC(CCO)CNS(=O)(=O)c1c(F)cc(N)cc1F
InChIInChI=1S/C13H20F2N2O3S/c1-2-3-9(4-5-18)8-17-21(19,20)13-11(14)6-10(16)7-12(13)15/h6-7,9,17-18H,2-5,8,16H2,1H3
InChIKeySREJFQZVIHJKEY-UHFFFAOYSA-N
MW322.38 g/mol
LogP1.62
Rot. Bonds8

About 4-amino-2,6-difluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide

4-amino-2,6-difluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide (PubChem CID 106113473) has the molecular formula C13H20F2N2O3S and a molecular weight of 322.38 g/mol. Its IUPAC name is 4-amino-2,6-difluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-difluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
PubChem CID106113473
Molecular FormulaC13H20F2N2O3S
Molecular Weight322.38 g/mol
Exact Mass322.12
IUPAC Name4-amino-2,6-difluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
SMILESCCCC(CCO)CNS(=O)(=O)c1c(F)cc(N)cc1F
InChIInChI=1S/C13H20F2N2O3S/c1-2-3-9(4-5-18)8-17-21(19,20)13-11(14)6-10(16)7-12(13)15/h6-7,9,17-18H,2-5,8,16H2,1H3
InChIKeySREJFQZVIHJKEY-UHFFFAOYSA-N
XLogP1.62
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.62
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-2,3-difluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 106113511
5-amino-2,4-difluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 106113601
5-amino-2-chloro-4-fluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 106113557
2-amino-3-fluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 106113489
2,4,6-trichloro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 103836427
4-amino-N-(2,3-dihydroxypropyl)-2,6-difluorobenzenesulfonamide
CID 66174828
N-[2-(2-aminoethyl)pentyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 106116377
2-amino-5-bromo-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 106113439
3-amino-N-[2-(2-hydroxyethyl)pentyl]-4,5-dimethylbenzenesulfonamide
CID 106113471
3-fluoro-N-[2-(2-hydroxyethyl)pentyl]-4-methoxybenzenesulfonamide
CID 103836369
3-fluoro-4-[2-(2-hydroxyethyl)pentylamino]benzenesulfonamide
CID 106115793
2-[[(2,4,6-trifluorophenyl)sulfonylamino]methyl]pentanoic acid
CID 65223007

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-difluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide?
The IUPAC name of 4-amino-2,6-difluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide (CID 106113473) is 4-amino-2,6-difluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-difluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-difluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide is CCCC(CCO)CNS(=O)(=O)c1c(F)cc(N)cc1F.
What is the InChIKey of 4-amino-2,6-difluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide?
The InChIKey is SREJFQZVIHJKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O3S/c1-2-3-9(4-5-18)8-17-21(19,20)13-11(14)6-10(16)7-12(13)15/h6-7,9,17-18H,2-5,8,16H2,1H3.
What are the key properties of 4-amino-2,6-difluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide?
4-amino-2,6-difluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide has a molecular weight of 322.38 g/mol, XLogP of 1.62, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-difluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide is sourced from PubChem (CID 106113473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).