4-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-fluorobenzenesulfonamide

C10H15FN2O5S — CID 107843632

IUPAC4-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-fluorobenzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NC(CO)(CO)CO)c(F)c1
InChIInChI=1S/C10H15FN2O5S/c11-8-3-7(12)1-2-9(8)19(17,18)13-10(4-14,5-15)6-16/h1-3,13-16H,4-6,12H2
InChIKeyRYXLCCUDMSOFGY-UHFFFAOYSA-N
MW294.30 g/mol
LogP-1.60
Rot. Bonds6

About 4-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-fluorobenzenesulfonamide

4-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-fluorobenzenesulfonamide (PubChem CID 107843632) has the molecular formula C10H15FN2O5S and a molecular weight of 294.30 g/mol. Its IUPAC name is 4-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-fluorobenzenesulfonamide
PubChem CID107843632
Molecular FormulaC10H15FN2O5S
Molecular Weight294.30 g/mol
Exact Mass294.07
IUPAC Name4-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-fluorobenzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NC(CO)(CO)CO)c(F)c1
InChIInChI=1S/C10H15FN2O5S/c11-8-3-7(12)1-2-9(8)19(17,18)13-10(4-14,5-15)6-16/h1-3,13-16H,4-6,12H2
InChIKeyRYXLCCUDMSOFGY-UHFFFAOYSA-N
XLogP-1.60
TPSA132.88 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 5-1.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]benzenesulfonamide
CID 62525141
4-amino-2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106165228
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-fluorobenzenesulfonamide
CID 114008662
4-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylbenzenesulfonamide
CID 107864487
5-amino-4-bromo-2-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]benzenesulfonamide
CID 116530284
2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylbenzenesulfonamide
CID 107843630
4-amino-2-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide
CID 115357869
3-fluoro-4-(trifluoromethylsulfonyl)aniline
CID 81192069
4-amino-2-fluoro-N',N'-dimethylbenzenesulfonohydrazide
CID 83012823
4-amino-2-bromo-N-(3-ethylpentan-3-yl)benzenesulfonamide
CID 65039299
2-amino-5-bromo-4-fluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzenesulfonamide
CID 107864446
4-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64929989

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-fluorobenzenesulfonamide?
The IUPAC name of 4-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-fluorobenzenesulfonamide (CID 107843632) is 4-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-fluorobenzenesulfonamide is Nc1ccc(S(=O)(=O)NC(CO)(CO)CO)c(F)c1.
What is the InChIKey of 4-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-fluorobenzenesulfonamide?
The InChIKey is RYXLCCUDMSOFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O5S/c11-8-3-7(12)1-2-9(8)19(17,18)13-10(4-14,5-15)6-16/h1-3,13-16H,4-6,12H2.
What are the key properties of 4-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-fluorobenzenesulfonamide?
4-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-fluorobenzenesulfonamide has a molecular weight of 294.30 g/mol, XLogP of -1.60, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 107843632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).