3-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,6-dimethylbenzenesulfonamide

C11H16F2N2O3S — CID 106165818

IUPAC3-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,6-dimethylbenzenesulfonamide
SMILESCc1ccc(N)c(C)c1S(=O)(=O)NCC(F)(F)CO
InChIInChI=1S/C11H16F2N2O3S/c1-7-3-4-9(14)8(2)10(7)19(17,18)15-5-11(12,13)6-16/h3-4,15-16H,5-6,14H2,1-2H3
InChIKeyQZEZADWDGVSMHX-UHFFFAOYSA-N
MW294.32 g/mol
LogP0.79
Rot. Bonds5

About 3-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,6-dimethylbenzenesulfonamide

3-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,6-dimethylbenzenesulfonamide (PubChem CID 106165818) has the molecular formula C11H16F2N2O3S and a molecular weight of 294.32 g/mol. Its IUPAC name is 3-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,6-dimethylbenzenesulfonamide
PubChem CID106165818
Molecular FormulaC11H16F2N2O3S
Molecular Weight294.32 g/mol
Exact Mass294.08
IUPAC Name3-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,6-dimethylbenzenesulfonamide
SMILESCc1ccc(N)c(C)c1S(=O)(=O)NCC(F)(F)CO
InChIInChI=1S/C11H16F2N2O3S/c1-7-3-4-9(14)8(2)10(7)19(17,18)15-5-11(12,13)6-16/h3-4,15-16H,5-6,14H2,1-2H3
InChIKeyQZEZADWDGVSMHX-UHFFFAOYSA-N
XLogP0.79
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 50.79
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

4-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-methylbenzenesulfonamide
CID 106165658
3-amino-N-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylbenzenesulfonamide
CID 93081295
5-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-fluoro-2-methylbenzenesulfonamide
CID 106165792
5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2-methylbenzamide
CID 104858816
3-amino-N-[3-(methanesulfonamido)propyl]-2,6-dimethylbenzenesulfonamide
CID 106333253
5-tert-butyl-N-(2,2-difluoro-3-hydroxypropyl)-2-methylbenzenesulfonamide
CID 104858895
3-amino-N-(cyclopropylmethyl)-2,6-dimethylbenzenesulfonamide
CID 43257138
3-amino-2,6-dimethyl-N-octylbenzenesulfonamide
CID 115566101
2-[(3-amino-2,6-dimethylphenyl)sulfonylamino]-N-ethylacetamide
CID 43566783
3-amino-2,6-dimethyl-N-propan-2-ylbenzenesulfonamide
CID 43256917
tert-butyl N-[2-[(3-amino-2,6-dimethylphenyl)sulfonylamino]ethyl]carbamate
CID 104932785
2-amino-N-(2,3-dihydroxy-2-methylpropyl)-6-methylbenzenesulfonamide
CID 66168995

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,6-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,6-dimethylbenzenesulfonamide (CID 106165818) is 3-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,6-dimethylbenzenesulfonamide is Cc1ccc(N)c(C)c1S(=O)(=O)NCC(F)(F)CO.
What is the InChIKey of 3-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,6-dimethylbenzenesulfonamide?
The InChIKey is QZEZADWDGVSMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O3S/c1-7-3-4-9(14)8(2)10(7)19(17,18)15-5-11(12,13)6-16/h3-4,15-16H,5-6,14H2,1-2H3.
What are the key properties of 3-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,6-dimethylbenzenesulfonamide?
3-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,6-dimethylbenzenesulfonamide has a molecular weight of 294.32 g/mol, XLogP of 0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 106165818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).