3-fluoro-4-[2-(2-hydroxyethyl)pentylamino]benzenesulfonamide

C13H21FN2O3S — CID 106115793

IUPAC3-fluoro-4-[2-(2-hydroxyethyl)pentylamino]benzenesulfonamide
SMILESCCCC(CCO)CNc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C13H21FN2O3S/c1-2-3-10(6-7-17)9-16-13-5-4-11(8-12(13)14)20(15,18)19/h4-5,8,10,16-17H,2-3,6-7,9H2,1H3,(H2,15,18,19)
InChIKeyKQEUBZNOFSDIDH-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.68
Rot. Bonds8

About 3-fluoro-4-[2-(2-hydroxyethyl)pentylamino]benzenesulfonamide

3-fluoro-4-[2-(2-hydroxyethyl)pentylamino]benzenesulfonamide (PubChem CID 106115793) has the molecular formula C13H21FN2O3S and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-fluoro-4-[2-(2-hydroxyethyl)pentylamino]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-[2-(2-hydroxyethyl)pentylamino]benzenesulfonamide
PubChem CID106115793
Molecular FormulaC13H21FN2O3S
Molecular Weight304.39 g/mol
Exact Mass304.13
IUPAC Name3-fluoro-4-[2-(2-hydroxyethyl)pentylamino]benzenesulfonamide
SMILESCCCC(CCO)CNc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C13H21FN2O3S/c1-2-3-10(6-7-17)9-16-13-5-4-11(8-12(13)14)20(15,18)19/h4-5,8,10,16-17H,2-3,6-7,9H2,1H3,(H2,15,18,19)
InChIKeyKQEUBZNOFSDIDH-UHFFFAOYSA-N
XLogP1.68
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-ethyl-2-hydroxypentyl)amino]-3-fluorobenzenesulfonamide
CID 106287531
3-fluoro-4-(propylamino)benzenesulfonamide
CID 60713095
4-(2,3-dimethylbutylamino)-3-fluorobenzenesulfonamide
CID 64599794
3-fluoro-4-(4-hydroxybutylamino)benzenesulfonamide
CID 106842759
3-fluoro-4-(2-phenylpropylamino)benzenesulfonamide
CID 115576985
4-[(2-amino-2-methylpropyl)amino]-3-fluorobenzenesulfonamide
CID 115303754
5-amino-2,4-difluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 106113601
3-[(3-fluoro-2-nitroanilino)methyl]hexan-1-ol
CID 113244291
3-fluoro-N-[2-(2-hydroxyethyl)pentyl]-4-methoxybenzenesulfonamide
CID 103836369
4-amino-2,6-difluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 106113473
5-amino-2,3-difluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 106113511
4-(2-ethoxyethylamino)-3-fluorobenzenesulfonamide
CID 60965986

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[2-(2-hydroxyethyl)pentylamino]benzenesulfonamide?
The IUPAC name of 3-fluoro-4-[2-(2-hydroxyethyl)pentylamino]benzenesulfonamide (CID 106115793) is 3-fluoro-4-[2-(2-hydroxyethyl)pentylamino]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-[2-(2-hydroxyethyl)pentylamino]benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-[2-(2-hydroxyethyl)pentylamino]benzenesulfonamide is CCCC(CCO)CNc1ccc(S(N)(=O)=O)cc1F.
What is the InChIKey of 3-fluoro-4-[2-(2-hydroxyethyl)pentylamino]benzenesulfonamide?
The InChIKey is KQEUBZNOFSDIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O3S/c1-2-3-10(6-7-17)9-16-13-5-4-11(8-12(13)14)20(15,18)19/h4-5,8,10,16-17H,2-3,6-7,9H2,1H3,(H2,15,18,19).
What are the key properties of 3-fluoro-4-[2-(2-hydroxyethyl)pentylamino]benzenesulfonamide?
3-fluoro-4-[2-(2-hydroxyethyl)pentylamino]benzenesulfonamide has a molecular weight of 304.39 g/mol, XLogP of 1.68, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[2-(2-hydroxyethyl)pentylamino]benzenesulfonamide is sourced from PubChem (CID 106115793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).