5-[(cyclopropylamino)methyl]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide

C13H14FN3O2S2 — CID 106031635

IUPAC5-[(cyclopropylamino)methyl]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1cc(CNC2CC2)ccc1F
InChIInChI=1S/C13H14FN3O2S2/c14-11-4-1-9(8-16-10-2-3-10)7-12(11)21(18,19)17-13-15-5-6-20-13/h1,4-7,10,16H,2-3,8H2,(H,15,17)
InChIKeyCGVAHEFHIOJDPB-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.34
Rot. Bonds6

About 5-[(cyclopropylamino)methyl]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide

5-[(cyclopropylamino)methyl]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 106031635) has the molecular formula C13H14FN3O2S2 and a molecular weight of 327.41 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID106031635
Molecular FormulaC13H14FN3O2S2
Molecular Weight327.41 g/mol
Exact Mass327.05
IUPAC Name5-[(cyclopropylamino)methyl]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1cc(CNC2CC2)ccc1F
InChIInChI=1S/C13H14FN3O2S2/c14-11-4-1-9(8-16-10-2-3-10)7-12(11)21(18,19)17-13-15-5-6-20-13/h1,4-7,10,16H,2-3,8H2,(H,15,17)
InChIKeyCGVAHEFHIOJDPB-UHFFFAOYSA-N
XLogP2.34
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-5-(propylaminomethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 106031681
4-chloro-3-[(cyclopropylamino)methyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 106031911
5-[(cyclopropylamino)methyl]-N-(2,2-difluoroethyl)-2-fluorobenzenesulfonamide
CID 115409035
5-chloro-2-fluoro-4-[[4-(methylamino)cyclohexyl]methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 134477150
5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-2-fluorobenzenesulfonamide
CID 106019464
4-bromo-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 25138353
3-fluoro-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87488150
5-bromo-4-[[(1S,2S)-2-(ethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 134438274
5-chloro-2-fluoro-4-[4-[[(3S)-pyrrolidin-3-yl]amino]butylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 129251785
2-fluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87487462
5-chloro-2-fluoro-4-[(4-iminocyclohexyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 163678723
N-[(3-bromo-4-fluorophenyl)methyl]-1,3-thiazol-2-amine
CID 78982895

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 5-[(cyclopropylamino)methyl]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 106031635) is 5-[(cyclopropylamino)methyl]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nccs1)c1cc(CNC2CC2)ccc1F.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is CGVAHEFHIOJDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2S2/c14-11-4-1-9(8-16-10-2-3-10)7-12(11)21(18,19)17-13-15-5-6-20-13/h1,4-7,10,16H,2-3,8H2,(H,15,17).
What are the key properties of 5-[(cyclopropylamino)methyl]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide?
5-[(cyclopropylamino)methyl]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 327.41 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 106031635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).