5-(ethylaminomethyl)-N-(3-fluoro-4-pyridinyl)-2-methylthiophene-3-sulfonamide

C13H16FN3O2S2 — CID 106090175

IUPAC5-(ethylaminomethyl)-N-(3-fluoro-4-pyridinyl)-2-methylthiophene-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)Nc2ccncc2F)c(C)s1
InChIInChI=1S/C13H16FN3O2S2/c1-3-15-7-10-6-13(9(2)20-10)21(18,19)17-12-4-5-16-8-11(12)14/h4-6,8,15H,3,7H2,1-2H3,(H,16,17)
InChIKeyVOOOVZGFFFJWKI-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.50
Rot. Bonds6

About 5-(ethylaminomethyl)-N-(3-fluoro-4-pyridinyl)-2-methylthiophene-3-sulfonamide

5-(ethylaminomethyl)-N-(3-fluoro-4-pyridinyl)-2-methylthiophene-3-sulfonamide (PubChem CID 106090175) has the molecular formula C13H16FN3O2S2 and a molecular weight of 329.42 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-(3-fluoro-4-pyridinyl)-2-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-(3-fluoro-4-pyridinyl)-2-methylthiophene-3-sulfonamide
PubChem CID106090175
Molecular FormulaC13H16FN3O2S2
Molecular Weight329.42 g/mol
Exact Mass329.07
IUPAC Name5-(ethylaminomethyl)-N-(3-fluoro-4-pyridinyl)-2-methylthiophene-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)Nc2ccncc2F)c(C)s1
InChIInChI=1S/C13H16FN3O2S2/c1-3-15-7-10-6-13(9(2)20-10)21(18,19)17-12-4-5-16-8-11(12)14/h4-6,8,15H,3,7H2,1-2H3,(H,16,17)
InChIKeyVOOOVZGFFFJWKI-UHFFFAOYSA-N
XLogP2.50
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(ethylaminomethyl)-2-methyl-N-(2-methyl-4-pyridinyl)thiophene-3-sulfonamide
CID 106071355
2-bromo-N-(3-fluoro-4-pyridinyl)-5-(hydroxymethyl)thiophene-3-sulfonamide
CID 106000398
N-(3-fluoro-4-pyridinyl)-2-methylbenzenesulfonamide
CID 103862773
4-bromo-N-(3-fluoro-4-pyridinyl)-2-methylbenzenesulfonamide
CID 86796625
5-(ethylaminomethyl)-2-methyl-N-(3-methyl-4-pyridinyl)furan-3-sulfonamide
CID 106065482
5-(ethylaminomethyl)-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiophene-3-sulfonamide
CID 106065084
2-[5-[(3-fluoro-4-pyridinyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 107594798
2-fluoro-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 113340997
5-(aminomethyl)-N-(4-bromo-2-fluorophenyl)-2-methylthiophene-3-sulfonamide
CID 106058485
N-(3-fluoro-4-pyridinyl)-4-(propylamino)benzenesulfonamide
CID 107595393
N-(2-chloro-5-fluorophenyl)-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106088465
N-(2-ethoxy-2-methylpropyl)-5-(ethylaminomethyl)-2-methylthiophene-3-sulfonamide
CID 106086831

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-(3-fluoro-4-pyridinyl)-2-methylthiophene-3-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-N-(3-fluoro-4-pyridinyl)-2-methylthiophene-3-sulfonamide (CID 106090175) is 5-(ethylaminomethyl)-N-(3-fluoro-4-pyridinyl)-2-methylthiophene-3-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-N-(3-fluoro-4-pyridinyl)-2-methylthiophene-3-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-N-(3-fluoro-4-pyridinyl)-2-methylthiophene-3-sulfonamide is CCNCc1cc(S(=O)(=O)Nc2ccncc2F)c(C)s1.
What is the InChIKey of 5-(ethylaminomethyl)-N-(3-fluoro-4-pyridinyl)-2-methylthiophene-3-sulfonamide?
The InChIKey is VOOOVZGFFFJWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2S2/c1-3-15-7-10-6-13(9(2)20-10)21(18,19)17-12-4-5-16-8-11(12)14/h4-6,8,15H,3,7H2,1-2H3,(H,16,17).
What are the key properties of 5-(ethylaminomethyl)-N-(3-fluoro-4-pyridinyl)-2-methylthiophene-3-sulfonamide?
5-(ethylaminomethyl)-N-(3-fluoro-4-pyridinyl)-2-methylthiophene-3-sulfonamide has a molecular weight of 329.42 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-(3-fluoro-4-pyridinyl)-2-methylthiophene-3-sulfonamide is sourced from PubChem (CID 106090175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).