4-ethoxy-3-fluoro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide

C18H17FN2O3S2 — CID 91625861

IUPAC4-ethoxy-3-fluoro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2cccnc2-c2cccs2)cc1F
InChIInChI=1S/C18H17FN2O3S2/c1-2-24-16-8-7-14(11-15(16)19)26(22,23)21-12-13-5-3-9-20-18(13)17-6-4-10-25-17/h3-11,21H,2,12H2,1H3
InChIKeyPFYCRQQJKZKBMR-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.83
Rot. Bonds7

About 4-ethoxy-3-fluoro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide

4-ethoxy-3-fluoro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide (PubChem CID 91625861) has the molecular formula C18H17FN2O3S2 and a molecular weight of 392.48 g/mol. Its IUPAC name is 4-ethoxy-3-fluoro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-3-fluoro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide
PubChem CID91625861
Molecular FormulaC18H17FN2O3S2
Molecular Weight392.48 g/mol
Exact Mass392.07
IUPAC Name4-ethoxy-3-fluoro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2cccnc2-c2cccs2)cc1F
InChIInChI=1S/C18H17FN2O3S2/c1-2-24-16-8-7-14(11-15(16)19)26(22,23)21-12-13-5-3-9-20-18(13)17-6-4-10-25-17/h3-11,21H,2,12H2,1H3
InChIKeyPFYCRQQJKZKBMR-UHFFFAOYSA-N
XLogP3.83
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Ethoxy-N-pyridin-3-ylmethyl-benzenesulfonamide
CID 741474
N-[3-[4-(2-ethylindolizin-1-yl)sulfonylphenoxy]propyl]-2-methylpropan-2-amine
CID 13938100
3-[4-(2-methylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropylpropan-1-amine
CID 13938102
N-butyl-N-[3-[4-(2-methylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine
CID 13938103
3-[4-(2-ethylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropylpropan-1-amine
CID 13938104
N-butyl-N-[3-[4-(2-ethylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine
CID 13938105
N-butyl-N-[3-[4-(2-propylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine
CID 13938108
3-[4-(2-butylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropylpropan-1-amine
CID 13938109
N-butyl-N-[3-[4-(2-butylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine
CID 13938110
N,N-dimethyl-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine
CID 13938111
N,N-dibutyl-4-[4-(2-ethylindolizin-1-yl)sulfonylphenoxy]butan-1-amine
CID 13938119
N-[3-[4-(2-ethylindolizin-1-yl)sulfonylphenoxy]propyl]-N-pentylpentan-1-amine
CID 13938121

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-fluoro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-3-fluoro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide (CID 91625861) is 4-ethoxy-3-fluoro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-3-fluoro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-3-fluoro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCc2cccnc2-c2cccs2)cc1F.
What is the InChIKey of 4-ethoxy-3-fluoro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is PFYCRQQJKZKBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3S2/c1-2-24-16-8-7-14(11-15(16)19)26(22,23)21-12-13-5-3-9-20-18(13)17-6-4-10-25-17/h3-11,21H,2,12H2,1H3.
What are the key properties of 4-ethoxy-3-fluoro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide?
4-ethoxy-3-fluoro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide has a molecular weight of 392.48 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-fluoro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 91625861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).