2-(ethylaminomethyl)-N-(4-fluoro-3-methylphenyl)thiophene-3-sulfonamide

C14H17FN2O2S2 — CID 106056142

IUPAC2-(ethylaminomethyl)-N-(4-fluoro-3-methylphenyl)thiophene-3-sulfonamide
SMILESCCNCc1sccc1S(=O)(=O)Nc1ccc(F)c(C)c1
InChIInChI=1S/C14H17FN2O2S2/c1-3-16-9-13-14(6-7-20-13)21(18,19)17-11-4-5-12(15)10(2)8-11/h4-8,16-17H,3,9H2,1-2H3
InChIKeyPGILGLBPEJOLSE-UHFFFAOYSA-N
MW328.43 g/mol
LogP3.11
Rot. Bonds6

About 2-(ethylaminomethyl)-N-(4-fluoro-3-methylphenyl)thiophene-3-sulfonamide

2-(ethylaminomethyl)-N-(4-fluoro-3-methylphenyl)thiophene-3-sulfonamide (PubChem CID 106056142) has the molecular formula C14H17FN2O2S2 and a molecular weight of 328.43 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-N-(4-fluoro-3-methylphenyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(ethylaminomethyl)-N-(4-fluoro-3-methylphenyl)thiophene-3-sulfonamide
PubChem CID106056142
Molecular FormulaC14H17FN2O2S2
Molecular Weight328.43 g/mol
Exact Mass328.07
IUPAC Name2-(ethylaminomethyl)-N-(4-fluoro-3-methylphenyl)thiophene-3-sulfonamide
SMILESCCNCc1sccc1S(=O)(=O)Nc1ccc(F)c(C)c1
InChIInChI=1S/C14H17FN2O2S2/c1-3-16-9-13-14(6-7-20-13)21(18,19)17-11-4-5-12(15)10(2)8-11/h4-8,16-17H,3,9H2,1-2H3
InChIKeyPGILGLBPEJOLSE-UHFFFAOYSA-N
XLogP3.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluoro-4-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 107429534
3-[(4-fluoro-3-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 62811245
N-(2-bromo-6-fluorophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide
CID 106089648
N-(5-bromo-4-methyl-2-pyridinyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide
CID 106070832
5-(ethylaminomethyl)-N-(4-fluoro-3-methylphenyl)-1H-pyrrole-3-sulfonamide
CID 106056158
N-(4-chloro-2-iodophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide
CID 106087421
N-(2,5-dibromophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide
CID 106007249
N-(4-bromophenyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106061353
N-(3,4-dichlorophenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106059497
N-(4-chlorophenyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106060779
2-(ethylaminomethyl)-N-(3-fluorophenyl)-4-methylthiophene-3-sulfonamide
CID 106060584
2-amino-N-(4-fluoro-3-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 62809296

Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-N-(4-fluoro-3-methylphenyl)thiophene-3-sulfonamide?
The IUPAC name of 2-(ethylaminomethyl)-N-(4-fluoro-3-methylphenyl)thiophene-3-sulfonamide (CID 106056142) is 2-(ethylaminomethyl)-N-(4-fluoro-3-methylphenyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-(ethylaminomethyl)-N-(4-fluoro-3-methylphenyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-(ethylaminomethyl)-N-(4-fluoro-3-methylphenyl)thiophene-3-sulfonamide is CCNCc1sccc1S(=O)(=O)Nc1ccc(F)c(C)c1.
What is the InChIKey of 2-(ethylaminomethyl)-N-(4-fluoro-3-methylphenyl)thiophene-3-sulfonamide?
The InChIKey is PGILGLBPEJOLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2S2/c1-3-16-9-13-14(6-7-20-13)21(18,19)17-11-4-5-12(15)10(2)8-11/h4-8,16-17H,3,9H2,1-2H3.
What are the key properties of 2-(ethylaminomethyl)-N-(4-fluoro-3-methylphenyl)thiophene-3-sulfonamide?
2-(ethylaminomethyl)-N-(4-fluoro-3-methylphenyl)thiophene-3-sulfonamide has a molecular weight of 328.43 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-N-(4-fluoro-3-methylphenyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106056142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).