4-(difluoromethylsulfonyl)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline

C14H15F2NO2S2 — CID 43683889

IUPAC4-(difluoromethylsulfonyl)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
SMILESCc1ccc(C(C)Nc2ccc(S(=O)(=O)C(F)F)cc2)s1
InChIInChI=1S/C14H15F2NO2S2/c1-9-3-8-13(20-9)10(2)17-11-4-6-12(7-5-11)21(18,19)14(15)16/h3-8,10,14,17H,1-2H3
InChIKeyFQZPCJWOHZQZOH-UHFFFAOYSA-N
MW331.41 g/mol
LogP4.23
Rot. Bonds5

About 4-(difluoromethylsulfonyl)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline

4-(difluoromethylsulfonyl)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline (PubChem CID 43683889) has the molecular formula C14H15F2NO2S2 and a molecular weight of 331.41 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
PubChem CID43683889
Molecular FormulaC14H15F2NO2S2
Molecular Weight331.41 g/mol
Exact Mass331.05
IUPAC Name4-(difluoromethylsulfonyl)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
SMILESCc1ccc(C(C)Nc2ccc(S(=O)(=O)C(F)F)cc2)s1
InChIInChI=1S/C14H15F2NO2S2/c1-9-3-8-13(20-9)10(2)17-11-4-6-12(7-5-11)21(18,19)14(15)16/h3-8,10,14,17H,1-2H3
InChIKeyFQZPCJWOHZQZOH-UHFFFAOYSA-N
XLogP4.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43194697
N-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]ethanesulfonamide
CID 60932015
4-(difluoromethylsulfonyl)-N-propan-2-ylaniline
CID 43455286
N-[1-(5-methylthiophen-2-yl)ethyl]-4-phenylaniline
CID 43716871
1-methyl-3-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]urea
CID 43744393
N-[1-(3-bromothiophen-2-yl)ethyl]-4-(difluoromethylsulfonyl)aniline
CID 43781120
4-fluoro-3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 62810732
4-(difluoromethylsulfonyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]aniline
CID 133335803
4-amino-3-[1-(5-methylthiophen-2-yl)ethylamino]benzenesulfonamide
CID 82907089
N-but-3-yn-2-yl-4-(difluoromethylsulfonyl)aniline
CID 114382952
(2R)-2-[4-(difluoromethylsulfonyl)anilino]-N-methylpropanamide
CID 133429366
4-(difluoromethylsulfonyl)-N-[1-(1H-pyrazol-4-yl)ethyl]aniline
CID 103894690

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline (CID 43683889) is 4-(difluoromethylsulfonyl)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline is Cc1ccc(C(C)Nc2ccc(S(=O)(=O)C(F)F)cc2)s1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline?
The InChIKey is FQZPCJWOHZQZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO2S2/c1-9-3-8-13(20-9)10(2)17-11-4-6-12(7-5-11)21(18,19)14(15)16/h3-8,10,14,17H,1-2H3.
What are the key properties of 4-(difluoromethylsulfonyl)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline?
4-(difluoromethylsulfonyl)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline has a molecular weight of 331.41 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline is sourced from PubChem (CID 43683889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).