5-amino-N-ethyl-2,4-difluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide

C13H14F2N2O2S2 — CID 61113928

IUPAC5-amino-N-ethyl-2,4-difluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCCN(Cc1cccs1)S(=O)(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C13H14F2N2O2S2/c1-2-17(8-9-4-3-5-20-9)21(18,19)13-7-12(16)10(14)6-11(13)15/h3-7H,2,8,16H2,1H3
InChIKeyGFYWFKFYBVRELX-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.82
Rot. Bonds5

About 5-amino-N-ethyl-2,4-difluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide

5-amino-N-ethyl-2,4-difluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 61113928) has the molecular formula C13H14F2N2O2S2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 5-amino-N-ethyl-2,4-difluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-ethyl-2,4-difluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID61113928
Molecular FormulaC13H14F2N2O2S2
Molecular Weight332.40 g/mol
Exact Mass332.05
IUPAC Name5-amino-N-ethyl-2,4-difluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCCN(Cc1cccs1)S(=O)(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C13H14F2N2O2S2/c1-2-17(8-9-4-3-5-20-9)21(18,19)13-7-12(16)10(14)6-11(13)15/h3-7H,2,8,16H2,1H3
InChIKeyGFYWFKFYBVRELX-UHFFFAOYSA-N
XLogP2.82
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.82
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

4-(aminomethyl)-N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 79179449
5-amino-N,N-diethyl-2,4-difluorobenzenesulfonamide
CID 29269932
3-amino-5-chloro-N-ethyl-2-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 114379149
2-(aminomethyl)-N-ethyl-5-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 102920582
5-amino-2-chloro-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61111716
2-fluoro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 35305554
N-ethyl-2-hydrazinyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61437971
4-N-ethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide
CID 26530442
N-ethyl-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 60681457
2,4,6-trichloro-N-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 55870758
5-amino-N,N-dibutyl-2,4-difluorobenzenesulfonamide
CID 28982353
5-amino-4-bromo-N-ethyl-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 116529898

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-ethyl-2,4-difluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-amino-N-ethyl-2,4-difluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 61113928) is 5-amino-N-ethyl-2,4-difluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-N-ethyl-2,4-difluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-N-ethyl-2,4-difluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide is CCN(Cc1cccs1)S(=O)(=O)c1cc(N)c(F)cc1F.
What is the InChIKey of 5-amino-N-ethyl-2,4-difluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is GFYWFKFYBVRELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O2S2/c1-2-17(8-9-4-3-5-20-9)21(18,19)13-7-12(16)10(14)6-11(13)15/h3-7H,2,8,16H2,1H3.
What are the key properties of 5-amino-N-ethyl-2,4-difluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide?
5-amino-N-ethyl-2,4-difluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 332.40 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-ethyl-2,4-difluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 61113928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).