5-amino-N-(2,3-dihydroxy-2-methylpropyl)-2-fluoro-4-methylbenzenesulfonamide

C11H17FN2O4S — CID 66168567

IUPAC5-amino-N-(2,3-dihydroxy-2-methylpropyl)-2-fluoro-4-methylbenzenesulfonamide
SMILESCc1cc(F)c(S(=O)(=O)NCC(C)(O)CO)cc1N
InChIInChI=1S/C11H17FN2O4S/c1-7-3-8(12)10(4-9(7)13)19(17,18)14-5-11(2,16)6-15/h3-4,14-16H,5-6,13H2,1-2H3
InChIKeyJCZQVRFIEJOKRX-UHFFFAOYSA-N
MW292.33 g/mol
LogP-0.26
Rot. Bonds5

About 5-amino-N-(2,3-dihydroxy-2-methylpropyl)-2-fluoro-4-methylbenzenesulfonamide

5-amino-N-(2,3-dihydroxy-2-methylpropyl)-2-fluoro-4-methylbenzenesulfonamide (PubChem CID 66168567) has the molecular formula C11H17FN2O4S and a molecular weight of 292.33 g/mol. Its IUPAC name is 5-amino-N-(2,3-dihydroxy-2-methylpropyl)-2-fluoro-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(2,3-dihydroxy-2-methylpropyl)-2-fluoro-4-methylbenzenesulfonamide
PubChem CID66168567
Molecular FormulaC11H17FN2O4S
Molecular Weight292.33 g/mol
Exact Mass292.09
IUPAC Name5-amino-N-(2,3-dihydroxy-2-methylpropyl)-2-fluoro-4-methylbenzenesulfonamide
SMILESCc1cc(F)c(S(=O)(=O)NCC(C)(O)CO)cc1N
InChIInChI=1S/C11H17FN2O4S/c1-7-3-8(12)10(4-9(7)13)19(17,18)14-5-11(2,16)6-15/h3-4,14-16H,5-6,13H2,1-2H3
InChIKeyJCZQVRFIEJOKRX-UHFFFAOYSA-N
XLogP-0.26
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 5-0.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-fluoro-2-methylbenzenesulfonamide
CID 106165792
5-amino-2,4-difluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65103582
5-amino-2-fluoro-4-methyl-N-(3-methylbut-2-enyl)benzenesulfonamide
CID 106180759
N-(2,3-dihydroxy-2-methylpropyl)-2,4-difluoro-5-nitrobenzenesulfonamide
CID 66170537
2-bromo-N-(2,3-dihydroxy-2-methylpropyl)-4-fluorobenzenesulfonamide
CID 66170192
2-amino-N-(2,3-dihydroxy-2-methylpropyl)-6-methylbenzenesulfonamide
CID 66168995
2-[(5-amino-2-fluoro-4-methylphenyl)sulfonylamino]ethyl carbamate
CID 83202296
5-amino-2-bromo-N-(2,2-difluoro-3-hydroxypropyl)-4-fluorobenzenesulfonamide
CID 106165837
5-amino-2-fluoro-N-[(2S)-1-hydroxybutan-2-yl]-4-methylbenzenesulfonamide
CID 107213678
5-amino-4-bromo-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylbenzenesulfonamide
CID 106249898
3-[(5-amino-4-fluoro-2-methylphenyl)sulfonylamino]-N,2,2-trimethylpropanamide
CID 106275009
1-(5-amino-2-fluoro-4-methylphenyl)sulfonyl-3-tert-butylurea
CID 116646484

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,3-dihydroxy-2-methylpropyl)-2-fluoro-4-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(2,3-dihydroxy-2-methylpropyl)-2-fluoro-4-methylbenzenesulfonamide (CID 66168567) is 5-amino-N-(2,3-dihydroxy-2-methylpropyl)-2-fluoro-4-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(2,3-dihydroxy-2-methylpropyl)-2-fluoro-4-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(2,3-dihydroxy-2-methylpropyl)-2-fluoro-4-methylbenzenesulfonamide is Cc1cc(F)c(S(=O)(=O)NCC(C)(O)CO)cc1N.
What is the InChIKey of 5-amino-N-(2,3-dihydroxy-2-methylpropyl)-2-fluoro-4-methylbenzenesulfonamide?
The InChIKey is JCZQVRFIEJOKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O4S/c1-7-3-8(12)10(4-9(7)13)19(17,18)14-5-11(2,16)6-15/h3-4,14-16H,5-6,13H2,1-2H3.
What are the key properties of 5-amino-N-(2,3-dihydroxy-2-methylpropyl)-2-fluoro-4-methylbenzenesulfonamide?
5-amino-N-(2,3-dihydroxy-2-methylpropyl)-2-fluoro-4-methylbenzenesulfonamide has a molecular weight of 292.33 g/mol, XLogP of -0.26, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,3-dihydroxy-2-methylpropyl)-2-fluoro-4-methylbenzenesulfonamide is sourced from PubChem (CID 66168567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).