N-(3-amino-2,2-difluoropropyl)-3,4-dimethylbenzenesulfonamide

C11H16F2N2O2S — CID 114383921

IUPACN-(3-amino-2,2-difluoropropyl)-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(F)(F)CN)cc1C
InChIInChI=1S/C11H16F2N2O2S/c1-8-3-4-10(5-9(8)2)18(16,17)15-7-11(12,13)6-14/h3-5,15H,6-7,14H2,1-2H3
InChIKeyAIFNLAUUMYOSOC-UHFFFAOYSA-N
MW278.32 g/mol
LogP1.18
Rot. Bonds5

About N-(3-amino-2,2-difluoropropyl)-3,4-dimethylbenzenesulfonamide

N-(3-amino-2,2-difluoropropyl)-3,4-dimethylbenzenesulfonamide (PubChem CID 114383921) has the molecular formula C11H16F2N2O2S and a molecular weight of 278.32 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-3,4-dimethylbenzenesulfonamide
PubChem CID114383921
Molecular FormulaC11H16F2N2O2S
Molecular Weight278.32 g/mol
Exact Mass278.09
IUPAC NameN-(3-amino-2,2-difluoropropyl)-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(F)(F)CN)cc1C
InChIInChI=1S/C11H16F2N2O2S/c1-8-3-4-10(5-9(8)2)18(16,17)15-7-11(12,13)6-14/h3-5,15H,6-7,14H2,1-2H3
InChIKeyAIFNLAUUMYOSOC-UHFFFAOYSA-N
XLogP1.18
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-difluoropropyl)-3,4-dimethoxybenzenesulfonamide
CID 114384146
N-(3-amino-2,2-difluoropropyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 120713011
4-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-methylbenzenesulfonamide
CID 106165658
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
3-N-(3-amino-2,2-difluoropropyl)benzene-1,3-disulfonamide
CID 114384038
3,4-dimethyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzenesulfonamide
CID 26267871
N-(3-amino-2,2-difluoropropyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 114383991
N-(3-amino-2,2-difluoropropyl)-4-ethoxybenzenesulfonamide
CID 114383933
N-(3-amino-2,2-difluoropropyl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride
CID 120712963
5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2-methylbenzamide
CID 104858816
N-(3-amino-2,2-difluoropropyl)-5-cyano-2-methylbenzenesulfonamide
CID 114383953
N-(2-amino-2-methylpropyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119988055

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-3,4-dimethylbenzenesulfonamide (CID 114383921) is N-(3-amino-2,2-difluoropropyl)-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCC(F)(F)CN)cc1C.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-3,4-dimethylbenzenesulfonamide?
The InChIKey is AIFNLAUUMYOSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O2S/c1-8-3-4-10(5-9(8)2)18(16,17)15-7-11(12,13)6-14/h3-5,15H,6-7,14H2,1-2H3.
What are the key properties of N-(3-amino-2,2-difluoropropyl)-3,4-dimethylbenzenesulfonamide?
N-(3-amino-2,2-difluoropropyl)-3,4-dimethylbenzenesulfonamide has a molecular weight of 278.32 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 114383921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).