4-amino-3-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide

C12H14FN3O2S2 — CID 82843811

IUPAC4-amino-3-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1ccc(N)c(F)c1)c1nccs1
InChIInChI=1S/C12H14FN3O2S2/c1-2-11(12-15-5-6-19-12)16-20(17,18)8-3-4-10(14)9(13)7-8/h3-7,11,16H,2,14H2,1H3
InChIKeySQALHHGVEXSITK-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.29
Rot. Bonds5

About 4-amino-3-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide

4-amino-3-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide (PubChem CID 82843811) has the molecular formula C12H14FN3O2S2 and a molecular weight of 315.40 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
PubChem CID82843811
Molecular FormulaC12H14FN3O2S2
Molecular Weight315.40 g/mol
Exact Mass315.05
IUPAC Name4-amino-3-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1ccc(N)c(F)c1)c1nccs1
InChIInChI=1S/C12H14FN3O2S2/c1-2-11(12-15-5-6-19-12)16-20(17,18)8-3-4-10(14)9(13)7-8/h3-7,11,16H,2,14H2,1H3
InChIKeySQALHHGVEXSITK-UHFFFAOYSA-N
XLogP2.29
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-3-methoxy-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
CID 102562347
4-amino-3-fluoro-N-(1-thiophen-2-ylpropyl)benzenesulfonamide
CID 82844715
4-(aminomethyl)-2-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
CID 79180058
3-amino-2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
CID 79884780
N-[(1R)-1-(1,3-thiazol-2-yl)propyl]ethanesulfonamide
CID 124506403
4-amino-3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 82844642
5-ethyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]thiophene-2-sulfonamide
CID 124595092
N-[1-(1,3-thiazol-2-yl)propyl]butane-1-sulfonamide
CID 122564380
2,5-dibromo-4-methyl-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
CID 81435158
5-bromo-4-methyl-N-[1-(1,3-thiazol-2-yl)propyl]thiophene-2-sulfonamide
CID 79941148
5-amino-N-methyl-2-[1-(1,3-thiazol-2-yl)propylamino]benzenesulfonamide
CID 103287107
4-amino-N-[(3-ethylthiophen-2-yl)methyl]-3-fluorobenzenesulfonamide
CID 82844047

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide?
The IUPAC name of 4-amino-3-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide (CID 82843811) is 4-amino-3-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-3-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide?
The canonical SMILES for 4-amino-3-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide is CCC(NS(=O)(=O)c1ccc(N)c(F)c1)c1nccs1.
What is the InChIKey of 4-amino-3-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide?
The InChIKey is SQALHHGVEXSITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2S2/c1-2-11(12-15-5-6-19-12)16-20(17,18)8-3-4-10(14)9(13)7-8/h3-7,11,16H,2,14H2,1H3.
What are the key properties of 4-amino-3-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide?
4-amino-3-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide has a molecular weight of 315.40 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 82843811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).