4-fluoro-2-(thiophen-2-ylsulfonylmethyl)aniline

C11H10FNO2S2 — CID 43444040

IUPAC4-fluoro-2-(thiophen-2-ylsulfonylmethyl)aniline
SMILESNc1ccc(F)cc1CS(=O)(=O)c1cccs1
InChIInChI=1S/C11H10FNO2S2/c12-9-3-4-10(13)8(6-9)7-17(14,15)11-2-1-5-16-11/h1-6H,7,13H2
InChIKeyBLCNYYMBFRMQSR-UHFFFAOYSA-N
MW271.34 g/mol
LogP2.44
Rot. Bonds3

About 4-fluoro-2-(thiophen-2-ylsulfonylmethyl)aniline

4-fluoro-2-(thiophen-2-ylsulfonylmethyl)aniline (PubChem CID 43444040) has the molecular formula C11H10FNO2S2 and a molecular weight of 271.34 g/mol. Its IUPAC name is 4-fluoro-2-(thiophen-2-ylsulfonylmethyl)aniline.

Molecular Properties

Compound Name4-fluoro-2-(thiophen-2-ylsulfonylmethyl)aniline
PubChem CID43444040
Molecular FormulaC11H10FNO2S2
Molecular Weight271.34 g/mol
Exact Mass271.01
IUPAC Name4-fluoro-2-(thiophen-2-ylsulfonylmethyl)aniline
SMILESNc1ccc(F)cc1CS(=O)(=O)c1cccs1
InChIInChI=1S/C11H10FNO2S2/c12-9-3-4-10(13)8(6-9)7-17(14,15)11-2-1-5-16-11/h1-6H,7,13H2
InChIKeyBLCNYYMBFRMQSR-UHFFFAOYSA-N
XLogP2.44
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(3-bromophenyl)sulfonylmethyl]-4-fluoroaniline
CID 55119579
4-fluoro-3-(thiophen-2-ylsulfonylmethyl)benzonitrile
CID 64692827
2-[(2-chlorophenyl)methylsulfonylmethyl]-4-fluoroaniline
CID 103288816
1-(5-fluoro-2-methoxyphenyl)-2-thiophen-2-ylsulfonylethanone
CID 64641787
2-[(2-chloro-5-fluorophenyl)methylsulfonyl]-4-fluoroaniline
CID 102621897
N-[2-(2,4-difluorophenyl)ethyl]thiophene-2-sulfonamide
CID 110789033
5-(thiophen-2-ylsulfonylmethyl)furan-2-carboxylic acid
CID 28942591
N-[4-fluoro-2-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-sulfonamide
CID 70133210
N-(3-amino-4-fluorophenyl)-2-thiophen-2-ylsulfonylacetamide
CID 43443998
N-(2-amino-4,6-difluorophenyl)thiophene-2-sulfonamide
CID 81314553
2-[(5-chloro-2-methoxyphenyl)methylsulfonyl]-4-fluoroaniline
CID 81192658
thiophene-2-(18F)sulfonyl fluoride
CID 72736656

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(thiophen-2-ylsulfonylmethyl)aniline?
The IUPAC name of 4-fluoro-2-(thiophen-2-ylsulfonylmethyl)aniline (CID 43444040) is 4-fluoro-2-(thiophen-2-ylsulfonylmethyl)aniline.
What is the SMILES notation for 4-fluoro-2-(thiophen-2-ylsulfonylmethyl)aniline?
The canonical SMILES for 4-fluoro-2-(thiophen-2-ylsulfonylmethyl)aniline is Nc1ccc(F)cc1CS(=O)(=O)c1cccs1.
What is the InChIKey of 4-fluoro-2-(thiophen-2-ylsulfonylmethyl)aniline?
The InChIKey is BLCNYYMBFRMQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2S2/c12-9-3-4-10(13)8(6-9)7-17(14,15)11-2-1-5-16-11/h1-6H,7,13H2.
What are the key properties of 4-fluoro-2-(thiophen-2-ylsulfonylmethyl)aniline?
4-fluoro-2-(thiophen-2-ylsulfonylmethyl)aniline has a molecular weight of 271.34 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(thiophen-2-ylsulfonylmethyl)aniline is sourced from PubChem (CID 43444040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).