N-[(4-aminophenyl)methyl]-1,1-difluoro-N-propan-2-ylmethanesulfonamide

C11H16F2N2O2S — CID 43384019

IUPACN-[(4-aminophenyl)methyl]-1,1-difluoro-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(Cc1ccc(N)cc1)S(=O)(=O)C(F)F
InChIInChI=1S/C11H16F2N2O2S/c1-8(2)15(18(16,17)11(12)13)7-9-3-5-10(14)6-4-9/h3-6,8,11H,7,14H2,1-2H3
InChIKeyZRYREXFIKMKXNC-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.03
Rot. Bonds5

About N-[(4-aminophenyl)methyl]-1,1-difluoro-N-propan-2-ylmethanesulfonamide

N-[(4-aminophenyl)methyl]-1,1-difluoro-N-propan-2-ylmethanesulfonamide (PubChem CID 43384019) has the molecular formula C11H16F2N2O2S and a molecular weight of 278.32 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-1,1-difluoro-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-1,1-difluoro-N-propan-2-ylmethanesulfonamide
PubChem CID43384019
Molecular FormulaC11H16F2N2O2S
Molecular Weight278.32 g/mol
Exact Mass278.09
IUPAC NameN-[(4-aminophenyl)methyl]-1,1-difluoro-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(Cc1ccc(N)cc1)S(=O)(=O)C(F)F
InChIInChI=1S/C11H16F2N2O2S/c1-8(2)15(18(16,17)11(12)13)7-9-3-5-10(14)6-4-9/h3-6,8,11H,7,14H2,1-2H3
InChIKeyZRYREXFIKMKXNC-UHFFFAOYSA-N
XLogP2.03
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(4-aminophenyl)methyl]-N-ethyl-1,1-difluoromethanesulfonamide
CID 43458785
N-[(4-aminophenyl)methyl]-N-propan-2-ylethanesulfonamide
CID 43460051
1-amino-4-[[propan-2-yl(propan-2-ylsulfamoyl)amino]methyl]benzene
CID 114804388
1-amino-4-[[ethylsulfamoyl(propan-2-yl)amino]methyl]benzene
CID 114804386
4-[[(4-aminophenyl)methyl-propan-2-ylamino]methyl]aniline
CID 59540436
4-[[2,2-difluoroethyl(propan-2-yl)amino]methyl]aniline
CID 60921385
1-[[propan-2-yl(sulfamoyl)amino]methyl]-4-(trifluoromethyl)benzene
CID 167049064
4-[[propan-2-yl(2-propan-2-ylsulfonylethyl)amino]methyl]aniline
CID 106725915
N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-propan-2-yloxyethanesulfonamide
CID 79592400
4-[[bis(2-methylpropyl)amino]methyl]aniline
CID 23507481
N-benzyl-N-propan-2-ylbenzenesulfonamide
CID 2813484
N-(4-aminophenyl)-N-ethylpropane-2-sulfonamide
CID 63233825

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-1,1-difluoro-N-propan-2-ylmethanesulfonamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-1,1-difluoro-N-propan-2-ylmethanesulfonamide (CID 43384019) is N-[(4-aminophenyl)methyl]-1,1-difluoro-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-1,1-difluoro-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-1,1-difluoro-N-propan-2-ylmethanesulfonamide is CC(C)N(Cc1ccc(N)cc1)S(=O)(=O)C(F)F.
What is the InChIKey of N-[(4-aminophenyl)methyl]-1,1-difluoro-N-propan-2-ylmethanesulfonamide?
The InChIKey is ZRYREXFIKMKXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O2S/c1-8(2)15(18(16,17)11(12)13)7-9-3-5-10(14)6-4-9/h3-6,8,11H,7,14H2,1-2H3.
What are the key properties of N-[(4-aminophenyl)methyl]-1,1-difluoro-N-propan-2-ylmethanesulfonamide?
N-[(4-aminophenyl)methyl]-1,1-difluoro-N-propan-2-ylmethanesulfonamide has a molecular weight of 278.32 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-1,1-difluoro-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 43384019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).