3-fluoro-4-(thiophen-3-ylmethylamino)benzenesulfonamide

C11H11FN2O2S2 — CID 60964601

IUPAC3-fluoro-4-(thiophen-3-ylmethylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NCc2ccsc2)c(F)c1
InChIInChI=1S/C11H11FN2O2S2/c12-10-5-9(18(13,15)16)1-2-11(10)14-6-8-3-4-17-7-8/h1-5,7,14H,6H2,(H2,13,15,16)
InChIKeySUHVJFFLTDSXKJ-UHFFFAOYSA-N
MW286.35 g/mol
LogP2.15
Rot. Bonds4

About 3-fluoro-4-(thiophen-3-ylmethylamino)benzenesulfonamide

3-fluoro-4-(thiophen-3-ylmethylamino)benzenesulfonamide (PubChem CID 60964601) has the molecular formula C11H11FN2O2S2 and a molecular weight of 286.35 g/mol. Its IUPAC name is 3-fluoro-4-(thiophen-3-ylmethylamino)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-(thiophen-3-ylmethylamino)benzenesulfonamide
PubChem CID60964601
Molecular FormulaC11H11FN2O2S2
Molecular Weight286.35 g/mol
Exact Mass286.02
IUPAC Name3-fluoro-4-(thiophen-3-ylmethylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NCc2ccsc2)c(F)c1
InChIInChI=1S/C11H11FN2O2S2/c12-10-5-9(18(13,15)16)1-2-11(10)14-6-8-3-4-17-7-8/h1-5,7,14H,6H2,(H2,13,15,16)
InChIKeySUHVJFFLTDSXKJ-UHFFFAOYSA-N
XLogP2.15
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-(thiophen-3-ylmethylamino)benzenesulfonamide
CID 82899421
4-[(2-amino-2-methylpropyl)amino]-3-fluorobenzenesulfonamide
CID 115303754
4-[(2-ethylphenyl)methylamino]-3-fluorobenzenesulfonamide
CID 64693654
3-fluoro-4-(propylamino)benzenesulfonamide
CID 60713095
2,6-difluoro-1-N-(thiophen-3-ylmethyl)benzene-1,4-diamine
CID 63248075
3,5-difluoro-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine
CID 115506987
2-fluoro-5-methoxy-4-nitro-N-(thiophen-3-ylmethyl)aniline
CID 103883268
3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)benzenesulfonamide
CID 114694533
4-(2,3-dimethylbutylamino)-3-fluorobenzenesulfonamide
CID 64599794
3-fluoro-4-(4-hydroxybutylamino)benzenesulfonamide
CID 106842759
3-amino-4-fluoro-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 55175261
2,3-difluoro-N-(thiophen-3-ylmethyl)aniline
CID 61074644

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(thiophen-3-ylmethylamino)benzenesulfonamide?
The IUPAC name of 3-fluoro-4-(thiophen-3-ylmethylamino)benzenesulfonamide (CID 60964601) is 3-fluoro-4-(thiophen-3-ylmethylamino)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-(thiophen-3-ylmethylamino)benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-(thiophen-3-ylmethylamino)benzenesulfonamide is NS(=O)(=O)c1ccc(NCc2ccsc2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(thiophen-3-ylmethylamino)benzenesulfonamide?
The InChIKey is SUHVJFFLTDSXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2S2/c12-10-5-9(18(13,15)16)1-2-11(10)14-6-8-3-4-17-7-8/h1-5,7,14H,6H2,(H2,13,15,16).
What are the key properties of 3-fluoro-4-(thiophen-3-ylmethylamino)benzenesulfonamide?
3-fluoro-4-(thiophen-3-ylmethylamino)benzenesulfonamide has a molecular weight of 286.35 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(thiophen-3-ylmethylamino)benzenesulfonamide is sourced from PubChem (CID 60964601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).