5-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-fluoro-2-methylbenzenesulfonamide

C10H13F3N2O3S — CID 106165792

IUPAC5-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)c(N)cc1S(=O)(=O)NCC(F)(F)CO
InChIInChI=1S/C10H13F3N2O3S/c1-6-2-7(11)8(14)3-9(6)19(17,18)15-4-10(12,13)5-16/h2-3,15-16H,4-5,14H2,1H3
InChIKeyPAJMGYJMDKXZBK-UHFFFAOYSA-N
MW298.29 g/mol
LogP0.62
Rot. Bonds5

About 5-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-fluoro-2-methylbenzenesulfonamide

5-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-fluoro-2-methylbenzenesulfonamide (PubChem CID 106165792) has the molecular formula C10H13F3N2O3S and a molecular weight of 298.29 g/mol. Its IUPAC name is 5-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-fluoro-2-methylbenzenesulfonamide
PubChem CID106165792
Molecular FormulaC10H13F3N2O3S
Molecular Weight298.29 g/mol
Exact Mass298.06
IUPAC Name5-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)c(N)cc1S(=O)(=O)NCC(F)(F)CO
InChIInChI=1S/C10H13F3N2O3S/c1-6-2-7(11)8(14)3-9(6)19(17,18)15-4-10(12,13)5-16/h2-3,15-16H,4-5,14H2,1H3
InChIKeyPAJMGYJMDKXZBK-UHFFFAOYSA-N
XLogP0.62
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-bromo-N-(2,2-difluoro-3-hydroxypropyl)-4-fluorobenzenesulfonamide
CID 106165837
3-[(5-amino-4-fluoro-2-methylphenyl)sulfonylamino]-N,2,2-trimethylpropanamide
CID 106275009
5-amino-N-(2,3-dihydroxy-2-methylpropyl)-2-fluoro-4-methylbenzenesulfonamide
CID 66168567
5-tert-butyl-N-(2,2-difluoro-3-hydroxypropyl)-2-methylbenzenesulfonamide
CID 104858895
4-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-methylbenzenesulfonamide
CID 106165658
5-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethoxybenzenesulfonamide
CID 106165551
5-amino-2,4-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 43498653
5-amino-2,4-difluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65103582
5-amino-4-fluoro-2-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114615093
3-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-5-fluoro-4-methylbenzoic acid
CID 106168720
3-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,6-dimethylbenzenesulfonamide
CID 106165818
5-amino-2,4-difluoro-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide
CID 106289392

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-fluoro-2-methylbenzenesulfonamide (CID 106165792) is 5-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-fluoro-2-methylbenzenesulfonamide is Cc1cc(F)c(N)cc1S(=O)(=O)NCC(F)(F)CO.
What is the InChIKey of 5-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-fluoro-2-methylbenzenesulfonamide?
The InChIKey is PAJMGYJMDKXZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O3S/c1-6-2-7(11)8(14)3-9(6)19(17,18)15-4-10(12,13)5-16/h2-3,15-16H,4-5,14H2,1H3.
What are the key properties of 5-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-fluoro-2-methylbenzenesulfonamide?
5-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-fluoro-2-methylbenzenesulfonamide has a molecular weight of 298.29 g/mol, XLogP of 0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 106165792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).