N-(1,1-difluoropropan-2-yl)-4-methylsulfonylaniline

C10H13F2NO2S — CID 102867799

IUPACN-(1,1-difluoropropan-2-yl)-4-methylsulfonylaniline
SMILESCC(Nc1ccc(S(C)(=O)=O)cc1)C(F)F
InChIInChI=1S/C10H13F2NO2S/c1-7(10(11)12)13-8-3-5-9(6-4-8)16(2,14)15/h3-7,10,13H,1-2H3
InChIKeyWDZDAAMXFYSCNV-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.16
Rot. Bonds4

About N-(1,1-difluoropropan-2-yl)-4-methylsulfonylaniline

N-(1,1-difluoropropan-2-yl)-4-methylsulfonylaniline (PubChem CID 102867799) has the molecular formula C10H13F2NO2S and a molecular weight of 249.28 g/mol. Its IUPAC name is N-(1,1-difluoropropan-2-yl)-4-methylsulfonylaniline.

Molecular Properties

Compound NameN-(1,1-difluoropropan-2-yl)-4-methylsulfonylaniline
PubChem CID102867799
Molecular FormulaC10H13F2NO2S
Molecular Weight249.28 g/mol
Exact Mass249.06
IUPAC NameN-(1,1-difluoropropan-2-yl)-4-methylsulfonylaniline
SMILESCC(Nc1ccc(S(C)(=O)=O)cc1)C(F)F
InChIInChI=1S/C10H13F2NO2S/c1-7(10(11)12)13-8-3-5-9(6-4-8)16(2,14)15/h3-7,10,13H,1-2H3
InChIKeyWDZDAAMXFYSCNV-UHFFFAOYSA-N
XLogP2.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1,1-difluoropropan-2-yl)-4-methylsulfonylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(Methylamino)benzene-1-sulfonamide
CID 14612854
3-Anilino-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione
CID 589052
1-(4-(Methylsulfonyl)phenyl)piperazine
CID 735904
Thiol-aryl sulfone, 13
CID 25138253
Thiol-aryl sulfone, 16
CID 25138254
4-[4-(Methylamino)phenyl]sulfonylaniline
CID 504062
N-Methyl-2-(methylsulfonyl)benzenamine
CID 14196351
4'-(Methylsulfonyl)acetanilide
CID 257586
N1-ethyl-4-trifluoromethanesulfonylbenzene-1,2-diamine
CID 703518
1-[2-Fluoro-4-(methylsulfonyl)phenyl]piperazine
CID 2782730
4-fluoro-N-(4-(methylsulfonyl)phenyl)aniline
CID 46937407
Thiol-aryl sulfone, 25
CID 25138257

Frequently Asked Questions

What is the IUPAC name of N-(1,1-difluoropropan-2-yl)-4-methylsulfonylaniline?
The IUPAC name of N-(1,1-difluoropropan-2-yl)-4-methylsulfonylaniline (CID 102867799) is N-(1,1-difluoropropan-2-yl)-4-methylsulfonylaniline.
What is the SMILES notation for N-(1,1-difluoropropan-2-yl)-4-methylsulfonylaniline?
The canonical SMILES for N-(1,1-difluoropropan-2-yl)-4-methylsulfonylaniline is CC(Nc1ccc(S(C)(=O)=O)cc1)C(F)F.
What is the InChIKey of N-(1,1-difluoropropan-2-yl)-4-methylsulfonylaniline?
The InChIKey is WDZDAAMXFYSCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO2S/c1-7(10(11)12)13-8-3-5-9(6-4-8)16(2,14)15/h3-7,10,13H,1-2H3.
What are the key properties of N-(1,1-difluoropropan-2-yl)-4-methylsulfonylaniline?
N-(1,1-difluoropropan-2-yl)-4-methylsulfonylaniline has a molecular weight of 249.28 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-difluoropropan-2-yl)-4-methylsulfonylaniline is sourced from PubChem (CID 102867799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).