5-amino-N-(3-ethyl-2-hydroxypentyl)-2,4-difluorobenzenesulfonamide

C13H20F2N2O3S — CID 106284143

IUPAC5-amino-N-(3-ethyl-2-hydroxypentyl)-2,4-difluorobenzenesulfonamide
SMILESCCC(CC)C(O)CNS(=O)(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C13H20F2N2O3S/c1-3-8(4-2)12(18)7-17-21(19,20)13-6-11(16)9(14)5-10(13)15/h5-6,8,12,17-18H,3-4,7,16H2,1-2H3
InChIKeyRRRKYZFJPCTZSQ-UHFFFAOYSA-N
MW322.38 g/mol
LogP1.62
Rot. Bonds7

About 5-amino-N-(3-ethyl-2-hydroxypentyl)-2,4-difluorobenzenesulfonamide

5-amino-N-(3-ethyl-2-hydroxypentyl)-2,4-difluorobenzenesulfonamide (PubChem CID 106284143) has the molecular formula C13H20F2N2O3S and a molecular weight of 322.38 g/mol. Its IUPAC name is 5-amino-N-(3-ethyl-2-hydroxypentyl)-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(3-ethyl-2-hydroxypentyl)-2,4-difluorobenzenesulfonamide
PubChem CID106284143
Molecular FormulaC13H20F2N2O3S
Molecular Weight322.38 g/mol
Exact Mass322.12
IUPAC Name5-amino-N-(3-ethyl-2-hydroxypentyl)-2,4-difluorobenzenesulfonamide
SMILESCCC(CC)C(O)CNS(=O)(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C13H20F2N2O3S/c1-3-8(4-2)12(18)7-17-21(19,20)13-6-11(16)9(14)5-10(13)15/h5-6,8,12,17-18H,3-4,7,16H2,1-2H3
InChIKeyRRRKYZFJPCTZSQ-UHFFFAOYSA-N
XLogP1.62
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
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'}

Analyze 5-amino-N-(3-ethyl-2-hydroxypentyl)-2,4-difluorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-N-(2,3-dihydroxypropyl)-2,4-difluorobenzenesulfonamide
CID 66177364
3-amino-N-(3-ethyl-2-hydroxypentyl)-2,5-dimethylbenzenesulfonamide
CID 106284208
5-amino-2,4-difluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 106113601
2-chloro-N-(3-ethyl-2-hydroxypentyl)-5-fluorobenzenesulfonamide
CID 103835211
4-amino-N-(3-ethyl-2-hydroxypentyl)-2,6-dimethylbenzenesulfonamide
CID 106284209
5-amino-2,4-difluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65103582
5-amino-2,4-difluoro-N-prop-2-enylbenzenesulfonamide
CID 61112133
5-amino-2,4-difluoro-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide
CID 106289392
5-amino-N-(2-ethylhexyl)-4-fluoro-2-methylbenzenesulfonamide
CID 107819725
N-(3-ethyl-2-hydroxypentyl)-2,4,6-trimethylbenzenesulfonamide
CID 103835154
5-chloro-2-cyano-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide
CID 103835199
2-amino-6-chloro-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide
CID 106284162

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-ethyl-2-hydroxypentyl)-2,4-difluorobenzenesulfonamide?
The IUPAC name of 5-amino-N-(3-ethyl-2-hydroxypentyl)-2,4-difluorobenzenesulfonamide (CID 106284143) is 5-amino-N-(3-ethyl-2-hydroxypentyl)-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(3-ethyl-2-hydroxypentyl)-2,4-difluorobenzenesulfonamide?
The canonical SMILES for 5-amino-N-(3-ethyl-2-hydroxypentyl)-2,4-difluorobenzenesulfonamide is CCC(CC)C(O)CNS(=O)(=O)c1cc(N)c(F)cc1F.
What is the InChIKey of 5-amino-N-(3-ethyl-2-hydroxypentyl)-2,4-difluorobenzenesulfonamide?
The InChIKey is RRRKYZFJPCTZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O3S/c1-3-8(4-2)12(18)7-17-21(19,20)13-6-11(16)9(14)5-10(13)15/h5-6,8,12,17-18H,3-4,7,16H2,1-2H3.
What are the key properties of 5-amino-N-(3-ethyl-2-hydroxypentyl)-2,4-difluorobenzenesulfonamide?
5-amino-N-(3-ethyl-2-hydroxypentyl)-2,4-difluorobenzenesulfonamide has a molecular weight of 322.38 g/mol, XLogP of 1.62, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-ethyl-2-hydroxypentyl)-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 106284143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).