5-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-fluoro-3-methylbenzenesulfonamide

C14H17FN2O2S2 — CID 106006763

IUPAC5-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-fluoro-3-methylbenzenesulfonamide
SMILESCCc1ccc(CNS(=O)(=O)c2cc(N)cc(C)c2F)s1
InChIInChI=1S/C14H17FN2O2S2/c1-3-11-4-5-12(20-11)8-17-21(18,19)13-7-10(16)6-9(2)14(13)15/h4-7,17H,3,8,16H2,1-2H3
InChIKeyISNKXTRZNGXFLM-UHFFFAOYSA-N
MW328.43 g/mol
LogP2.82
Rot. Bonds5

About 5-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-fluoro-3-methylbenzenesulfonamide

5-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-fluoro-3-methylbenzenesulfonamide (PubChem CID 106006763) has the molecular formula C14H17FN2O2S2 and a molecular weight of 328.43 g/mol. Its IUPAC name is 5-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-fluoro-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-fluoro-3-methylbenzenesulfonamide
PubChem CID106006763
Molecular FormulaC14H17FN2O2S2
Molecular Weight328.43 g/mol
Exact Mass328.07
IUPAC Name5-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-fluoro-3-methylbenzenesulfonamide
SMILESCCc1ccc(CNS(=O)(=O)c2cc(N)cc(C)c2F)s1
InChIInChI=1S/C14H17FN2O2S2/c1-3-11-4-5-12(20-11)8-17-21(18,19)13-7-10(16)6-9(2)14(13)15/h4-7,17H,3,8,16H2,1-2H3
InChIKeyISNKXTRZNGXFLM-UHFFFAOYSA-N
XLogP2.82
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-3-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-fluorobenzenesulfonamide
CID 106006837
5-amino-2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
CID 106006826
2-amino-N-[(5-ethylthiophen-2-yl)methyl]-4-fluorobenzenesulfonamide
CID 106006794
5-amino-2-fluoro-3-methyl-N-propylbenzenesulfonamide
CID 80645551
4-amino-2-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
CID 106006773
3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2,5-dimethylbenzenesulfonamide
CID 106006813
5-amino-4-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-fluorobenzenesulfonamide
CID 106006764
3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2,6-dimethylbenzenesulfonamide
CID 106006828
3-amino-5-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-methylbenzenesulfonamide
CID 106006788
2-amino-5-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
CID 106006795
5-amino-2-fluoro-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 80628498
5-amino-2-fluoro-3-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 80645779

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-fluoro-3-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-fluoro-3-methylbenzenesulfonamide (CID 106006763) is 5-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-fluoro-3-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-fluoro-3-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-fluoro-3-methylbenzenesulfonamide is CCc1ccc(CNS(=O)(=O)c2cc(N)cc(C)c2F)s1.
What is the InChIKey of 5-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-fluoro-3-methylbenzenesulfonamide?
The InChIKey is ISNKXTRZNGXFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2S2/c1-3-11-4-5-12(20-11)8-17-21(18,19)13-7-10(16)6-9(2)14(13)15/h4-7,17H,3,8,16H2,1-2H3.
What are the key properties of 5-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-fluoro-3-methylbenzenesulfonamide?
5-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-fluoro-3-methylbenzenesulfonamide has a molecular weight of 328.43 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-fluoro-3-methylbenzenesulfonamide is sourced from PubChem (CID 106006763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).