2-(difluoromethylsulfonyl)-N-(1-thiophen-3-ylpropan-2-yl)aniline

C14H15F2NO2S2 — CID 61474487

IUPAC2-(difluoromethylsulfonyl)-N-(1-thiophen-3-ylpropan-2-yl)aniline
SMILESCC(Cc1ccsc1)Nc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C14H15F2NO2S2/c1-10(8-11-6-7-20-9-11)17-12-4-2-3-5-13(12)21(18,19)14(15)16/h2-7,9-10,14,17H,8H2,1H3
InChIKeyPWRPTEFUZAVKOV-UHFFFAOYSA-N
MW331.41 g/mol
LogP3.79
Rot. Bonds6

About 2-(difluoromethylsulfonyl)-N-(1-thiophen-3-ylpropan-2-yl)aniline

2-(difluoromethylsulfonyl)-N-(1-thiophen-3-ylpropan-2-yl)aniline (PubChem CID 61474487) has the molecular formula C14H15F2NO2S2 and a molecular weight of 331.41 g/mol. Its IUPAC name is 2-(difluoromethylsulfonyl)-N-(1-thiophen-3-ylpropan-2-yl)aniline.

Molecular Properties

Compound Name2-(difluoromethylsulfonyl)-N-(1-thiophen-3-ylpropan-2-yl)aniline
PubChem CID61474487
Molecular FormulaC14H15F2NO2S2
Molecular Weight331.41 g/mol
Exact Mass331.05
IUPAC Name2-(difluoromethylsulfonyl)-N-(1-thiophen-3-ylpropan-2-yl)aniline
SMILESCC(Cc1ccsc1)Nc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C14H15F2NO2S2/c1-10(8-11-6-7-20-9-11)17-12-4-2-3-5-13(12)21(18,19)14(15)16/h2-7,9-10,14,17H,8H2,1H3
InChIKeyPWRPTEFUZAVKOV-UHFFFAOYSA-N
XLogP3.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 62152021
3-fluoro-1-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine
CID 54953307
2-fluoro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 47358916
2-chloro-6-(1-thiophen-3-ylpropan-2-ylamino)benzoic acid
CID 62711700
2-(difluoromethylsulfonyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 63991471
2-(aminomethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 106053233
3,5-difluoro-1-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine
CID 113325205
2-amino-3-fluoro-6-(1-thiophen-3-ylpropan-2-ylamino)benzoic acid
CID 83215271
1-[2-(difluoromethylsulfonyl)phenyl]-N-methylpropan-2-amine
CID 55219614
2-(difluoromethylsulfonyl)-N-(2-methylsulfonylethyl)aniline
CID 54934651
4-fluoro-2-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine
CID 62376964
N-(2-fluoroethyl)-1-thiophen-3-ylpropan-2-amine
CID 80694035

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfonyl)-N-(1-thiophen-3-ylpropan-2-yl)aniline?
The IUPAC name of 2-(difluoromethylsulfonyl)-N-(1-thiophen-3-ylpropan-2-yl)aniline (CID 61474487) is 2-(difluoromethylsulfonyl)-N-(1-thiophen-3-ylpropan-2-yl)aniline.
What is the SMILES notation for 2-(difluoromethylsulfonyl)-N-(1-thiophen-3-ylpropan-2-yl)aniline?
The canonical SMILES for 2-(difluoromethylsulfonyl)-N-(1-thiophen-3-ylpropan-2-yl)aniline is CC(Cc1ccsc1)Nc1ccccc1S(=O)(=O)C(F)F.
What is the InChIKey of 2-(difluoromethylsulfonyl)-N-(1-thiophen-3-ylpropan-2-yl)aniline?
The InChIKey is PWRPTEFUZAVKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO2S2/c1-10(8-11-6-7-20-9-11)17-12-4-2-3-5-13(12)21(18,19)14(15)16/h2-7,9-10,14,17H,8H2,1H3.
What are the key properties of 2-(difluoromethylsulfonyl)-N-(1-thiophen-3-ylpropan-2-yl)aniline?
2-(difluoromethylsulfonyl)-N-(1-thiophen-3-ylpropan-2-yl)aniline has a molecular weight of 331.41 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfonyl)-N-(1-thiophen-3-ylpropan-2-yl)aniline is sourced from PubChem (CID 61474487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).