4-(difluoromethylsulfonyl)-N-propan-2-ylaniline

C10H13F2NO2S — CID 43455286

IUPAC4-(difluoromethylsulfonyl)-N-propan-2-ylaniline
SMILESCC(C)Nc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C10H13F2NO2S/c1-7(2)13-8-3-5-9(6-4-8)16(14,15)10(11)12/h3-7,10,13H,1-2H3
InChIKeyMBAZUBDSOWPABC-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.50
Rot. Bonds4

About 4-(difluoromethylsulfonyl)-N-propan-2-ylaniline

4-(difluoromethylsulfonyl)-N-propan-2-ylaniline (PubChem CID 43455286) has the molecular formula C10H13F2NO2S and a molecular weight of 249.28 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-propan-2-ylaniline.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-propan-2-ylaniline
PubChem CID43455286
Molecular FormulaC10H13F2NO2S
Molecular Weight249.28 g/mol
Exact Mass249.06
IUPAC Name4-(difluoromethylsulfonyl)-N-propan-2-ylaniline
SMILESCC(C)Nc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C10H13F2NO2S/c1-7(2)13-8-3-5-9(6-4-8)16(14,15)10(11)12/h3-7,10,13H,1-2H3
InChIKeyMBAZUBDSOWPABC-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-but-3-yn-2-yl-4-(difluoromethylsulfonyl)aniline
CID 114382952
(2R)-2-[4-(difluoromethylsulfonyl)anilino]-N-methylpropanamide
CID 133429366
4-(difluoromethylsulfonyl)-N-heptan-4-ylaniline
CID 43683888
4-(difluoromethylsulfonyl)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43683889
N-[4-[[4-(difluoromethylsulfonyl)phenyl]sulfamoyl]phenyl]acetamide
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4-(difluoromethylsulfonyl)-N-[1-(1H-pyrazol-4-yl)ethyl]aniline
CID 103894690
N-[1-(3-bromothiophen-2-yl)ethyl]-4-(difluoromethylsulfonyl)aniline
CID 43781120
4-(difluoromethylsulfonyl)-N-(2-methylbutyl)aniline
CID 43683861
4-(difluoromethylsulfonyl)-N-(2-propan-2-yloxyethyl)aniline
CID 104576936
4-acetamido-N-[4-(difluoromethylsulfonyl)phenyl]benzamide
CID 26898710
N-[4-(difluoromethylsulfonyl)phenyl]-2-methoxypropanamide
CID 47301190
4-(difluoromethylsulfonyl)-N-prop-2-ynylaniline
CID 62140889

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-propan-2-ylaniline?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-propan-2-ylaniline (CID 43455286) is 4-(difluoromethylsulfonyl)-N-propan-2-ylaniline.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-propan-2-ylaniline?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-propan-2-ylaniline is CC(C)Nc1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-propan-2-ylaniline?
The InChIKey is MBAZUBDSOWPABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO2S/c1-7(2)13-8-3-5-9(6-4-8)16(14,15)10(11)12/h3-7,10,13H,1-2H3.
What are the key properties of 4-(difluoromethylsulfonyl)-N-propan-2-ylaniline?
4-(difluoromethylsulfonyl)-N-propan-2-ylaniline has a molecular weight of 249.28 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-propan-2-ylaniline is sourced from PubChem (CID 43455286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).