4-fluoro-3-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide

C12H12FNO3S2 — CID 2984844

IUPAC4-fluoro-3-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCc2cccs2)ccc1F
InChIInChI=1S/C12H12FNO3S2/c1-17-12-7-10(4-5-11(12)13)19(15,16)14-8-9-3-2-6-18-9/h2-7,14H,8H2,1H3
InChIKeyHWYHRXVPECSNGC-UHFFFAOYSA-N
MW301.36 g/mol
LogP2.37
Rot. Bonds5

About 4-fluoro-3-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide

4-fluoro-3-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 2984844) has the molecular formula C12H12FNO3S2 and a molecular weight of 301.36 g/mol. Its IUPAC name is 4-fluoro-3-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID2984844
Molecular FormulaC12H12FNO3S2
Molecular Weight301.36 g/mol
Exact Mass301.02
IUPAC Name4-fluoro-3-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCc2cccs2)ccc1F
InChIInChI=1S/C12H12FNO3S2/c1-17-12-7-10(4-5-11(12)13)19(15,16)14-8-9-3-2-6-18-9/h2-7,14H,8H2,1H3
InChIKeyHWYHRXVPECSNGC-UHFFFAOYSA-N
XLogP2.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 2984844) is 4-fluoro-3-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide is COc1cc(S(=O)(=O)NCc2cccs2)ccc1F.
What is the InChIKey of 4-fluoro-3-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is HWYHRXVPECSNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO3S2/c1-17-12-7-10(4-5-11(12)13)19(15,16)14-8-9-3-2-6-18-9/h2-7,14H,8H2,1H3.
What are the key properties of 4-fluoro-3-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide?
4-fluoro-3-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 301.36 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 2984844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).