2-amino-5-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide

C11H15FN2O3S — CID 54888363

IUPAC2-amino-5-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESNc1ccc(F)cc1S(=O)(=O)NCC1CCCO1
InChIInChI=1S/C11H15FN2O3S/c12-8-3-4-10(13)11(6-8)18(15,16)14-7-9-2-1-5-17-9/h3-4,6,9,14H,1-2,5,7,13H2
InChIKeyGHEGOEBRPZIWSI-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.87
Rot. Bonds4

About 2-amino-5-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide

2-amino-5-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide (PubChem CID 54888363) has the molecular formula C11H15FN2O3S and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-amino-5-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide
PubChem CID54888363
Molecular FormulaC11H15FN2O3S
Molecular Weight274.32 g/mol
Exact Mass274.08
IUPAC Name2-amino-5-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESNc1ccc(F)cc1S(=O)(=O)NCC1CCCO1
InChIInChI=1S/C11H15FN2O3S/c12-8-3-4-10(13)11(6-8)18(15,16)14-7-9-2-1-5-17-9/h3-4,6,9,14H,1-2,5,7,13H2
InChIKeyGHEGOEBRPZIWSI-UHFFFAOYSA-N
XLogP0.87
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 55014409
5-chloro-2-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 110759337
2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 2123351
5-amino-2-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43100522
4-amino-2-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 55014134
3-amino-4-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43098597
2,4,5-trichloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 2897340
2-(4-amino-3-methylanilino)-N-(oxolan-2-ylmethyl)ethanesulfonamide
CID 58586709
2,3,4,5-tetramethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 51681797
5-fluoro-2-[2-(oxolan-2-yl)ethylsulfonyl]aniline
CID 81185902
N-[[(2R)-oxolan-2-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 94183015
4-bromo-2-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 42999359

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-amino-5-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide (CID 54888363) is 2-amino-5-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide is Nc1ccc(F)cc1S(=O)(=O)NCC1CCCO1.
What is the InChIKey of 2-amino-5-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The InChIKey is GHEGOEBRPZIWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3S/c12-8-3-4-10(13)11(6-8)18(15,16)14-7-9-2-1-5-17-9/h3-4,6,9,14H,1-2,5,7,13H2.
What are the key properties of 2-amino-5-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide?
2-amino-5-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide has a molecular weight of 274.32 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 54888363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).