N-butan-2-yl-5-fluoro-2-(hydroxymethyl)-N-(2-methoxyethyl)benzenesulfonamide

C14H22FNO4S — CID 102919797

IUPACN-butan-2-yl-5-fluoro-2-(hydroxymethyl)-N-(2-methoxyethyl)benzenesulfonamide
SMILESCCC(C)N(CCOC)S(=O)(=O)c1cc(F)ccc1CO
InChIInChI=1S/C14H22FNO4S/c1-4-11(2)16(7-8-20-3)21(18,19)14-9-13(15)6-5-12(14)10-17/h5-6,9,11,17H,4,7-8,10H2,1-3H3
InChIKeyFSYCEIYRDXVCAT-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.75
Rot. Bonds8

About N-butan-2-yl-5-fluoro-2-(hydroxymethyl)-N-(2-methoxyethyl)benzenesulfonamide

N-butan-2-yl-5-fluoro-2-(hydroxymethyl)-N-(2-methoxyethyl)benzenesulfonamide (PubChem CID 102919797) has the molecular formula C14H22FNO4S and a molecular weight of 319.40 g/mol. Its IUPAC name is N-butan-2-yl-5-fluoro-2-(hydroxymethyl)-N-(2-methoxyethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-5-fluoro-2-(hydroxymethyl)-N-(2-methoxyethyl)benzenesulfonamide
PubChem CID102919797
Molecular FormulaC14H22FNO4S
Molecular Weight319.40 g/mol
Exact Mass319.13
IUPAC NameN-butan-2-yl-5-fluoro-2-(hydroxymethyl)-N-(2-methoxyethyl)benzenesulfonamide
SMILESCCC(C)N(CCOC)S(=O)(=O)c1cc(F)ccc1CO
InChIInChI=1S/C14H22FNO4S/c1-4-11(2)16(7-8-20-3)21(18,19)14-9-13(15)6-5-12(14)10-17/h5-6,9,11,17H,4,7-8,10H2,1-3H3
InChIKeyFSYCEIYRDXVCAT-UHFFFAOYSA-N
XLogP1.75
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-2-(hydroxymethyl)-N-methyl-N-pentan-3-ylbenzenesulfonamide
CID 102919721
4-bromo-N-butan-2-yl-2-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 116528510
5-fluoro-2-(hydroxymethyl)-N,N-dipropylbenzenesulfonamide
CID 102919677
2-amino-4-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82948431
N-(3,3-dimethylbutan-2-yl)-5-fluoro-2-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 102919803
N-ethyl-N-(2-ethylbutyl)-5-fluoro-2-(hydroxymethyl)benzenesulfonamide
CID 102919768
2,4-dibromo-N-butan-2-yl-N-(2-methoxyethyl)benzenesulfonamide
CID 61061226
5-fluoro-2-(hydroxymethyl)-N-methyl-N-pentylbenzenesulfonamide
CID 102919704
[5-fluoro-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]methanol
CID 55005532
methyl 2-[butan-2-yl(ethyl)sulfamoyl]-4-fluorobenzoate
CID 102919416
N-butan-2-yl-3-chloro-4-(chloromethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 107091030
N-butan-2-yl-4-(ethylamino)-N-(2-methoxyethyl)benzenesulfonamide
CID 62157610

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-fluoro-2-(hydroxymethyl)-N-(2-methoxyethyl)benzenesulfonamide?
The IUPAC name of N-butan-2-yl-5-fluoro-2-(hydroxymethyl)-N-(2-methoxyethyl)benzenesulfonamide (CID 102919797) is N-butan-2-yl-5-fluoro-2-(hydroxymethyl)-N-(2-methoxyethyl)benzenesulfonamide.
What is the SMILES notation for N-butan-2-yl-5-fluoro-2-(hydroxymethyl)-N-(2-methoxyethyl)benzenesulfonamide?
The canonical SMILES for N-butan-2-yl-5-fluoro-2-(hydroxymethyl)-N-(2-methoxyethyl)benzenesulfonamide is CCC(C)N(CCOC)S(=O)(=O)c1cc(F)ccc1CO.
What is the InChIKey of N-butan-2-yl-5-fluoro-2-(hydroxymethyl)-N-(2-methoxyethyl)benzenesulfonamide?
The InChIKey is FSYCEIYRDXVCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO4S/c1-4-11(2)16(7-8-20-3)21(18,19)14-9-13(15)6-5-12(14)10-17/h5-6,9,11,17H,4,7-8,10H2,1-3H3.
What are the key properties of N-butan-2-yl-5-fluoro-2-(hydroxymethyl)-N-(2-methoxyethyl)benzenesulfonamide?
N-butan-2-yl-5-fluoro-2-(hydroxymethyl)-N-(2-methoxyethyl)benzenesulfonamide has a molecular weight of 319.40 g/mol, XLogP of 1.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-fluoro-2-(hydroxymethyl)-N-(2-methoxyethyl)benzenesulfonamide is sourced from PubChem (CID 102919797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).