1-(2-fluorophenyl)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)methanesulfonamide

C17H17FN2O3S2 — CID 100554967

IUPAC1-(2-fluorophenyl)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)methanesulfonamide
SMILESCC(C)n1c(=O)sc2cc(NS(=O)(=O)Cc3ccccc3F)ccc21
InChIInChI=1S/C17H17FN2O3S2/c1-11(2)20-15-8-7-13(9-16(15)24-17(20)21)19-25(22,23)10-12-5-3-4-6-14(12)18/h3-9,11,19H,10H2,1-2H3
InChIKeyXAPFIMCFRUFYRS-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.72
Rot. Bonds5

About 1-(2-fluorophenyl)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)methanesulfonamide

1-(2-fluorophenyl)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)methanesulfonamide (PubChem CID 100554967) has the molecular formula C17H17FN2O3S2 and a molecular weight of 380.47 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)methanesulfonamide
PubChem CID100554967
Molecular FormulaC17H17FN2O3S2
Molecular Weight380.47 g/mol
Exact Mass380.07
IUPAC Name1-(2-fluorophenyl)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)methanesulfonamide
SMILESCC(C)n1c(=O)sc2cc(NS(=O)(=O)Cc3ccccc3F)ccc21
InChIInChI=1S/C17H17FN2O3S2/c1-11(2)20-15-8-7-13(9-16(15)24-17(20)21)19-25(22,23)10-12-5-3-4-6-14(12)18/h3-9,11,19H,10H2,1-2H3
InChIKeyXAPFIMCFRUFYRS-UHFFFAOYSA-N
XLogP3.72
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-fluorophenyl)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)acetamide
CID 100560696
3-fluoro-4-methoxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzenesulfonamide
CID 100556695
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)acetamide
CID 100550553
1-(4-fluorophenyl)-3-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)thiourea
CID 100561181
N-(3,5-dimethylphenyl)-2-oxo-3-propan-2-yl-1,3-benzothiazole-6-sulfonamide
CID 100728193
(2R)-2-(N-methylsulfonylanilino)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)propanamide
CID 100551756
N-(3-bromophenyl)-2-oxo-3-propan-2-yl-1,3-benzothiazole-6-sulfonamide
CID 100728280
N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-2-phenoxybutanamide
CID 133244909
(2S)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-2-phenoxybutanamide
CID 100559907
N-(2,6-dimethylphenyl)-2-oxo-3-propan-2-yl-1,3-benzothiazole-6-sulfonamide
CID 100728183
2-methoxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)acetamide
CID 100560197
1-(2-methoxyphenyl)-3-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)urea
CID 100561516

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)methanesulfonamide?
The IUPAC name of 1-(2-fluorophenyl)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)methanesulfonamide (CID 100554967) is 1-(2-fluorophenyl)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)methanesulfonamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)methanesulfonamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)methanesulfonamide is CC(C)n1c(=O)sc2cc(NS(=O)(=O)Cc3ccccc3F)ccc21.
What is the InChIKey of 1-(2-fluorophenyl)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)methanesulfonamide?
The InChIKey is XAPFIMCFRUFYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3S2/c1-11(2)20-15-8-7-13(9-16(15)24-17(20)21)19-25(22,23)10-12-5-3-4-6-14(12)18/h3-9,11,19H,10H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)methanesulfonamide?
1-(2-fluorophenyl)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)methanesulfonamide has a molecular weight of 380.47 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)methanesulfonamide is sourced from PubChem (CID 100554967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).