N-benzo[e][1,3]benzothiazol-2-yl-3,4-difluorobenzenesulfonamide

C17H10F2N2O2S2 — CID 8603569

IUPACN-benzo[e][1,3]benzothiazol-2-yl-3,4-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1nc2c(ccc3ccccc32)s1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H10F2N2O2S2/c18-13-7-6-11(9-14(13)19)25(22,23)21-17-20-16-12-4-2-1-3-10(12)5-8-15(16)24-17/h1-9H,(H,20,21)
InChIKeyFADWEUNGKCAZKH-UHFFFAOYSA-N
MW376.41 g/mol
LogP4.53
Rot. Bonds3

About N-benzo[e][1,3]benzothiazol-2-yl-3,4-difluorobenzenesulfonamide

N-benzo[e][1,3]benzothiazol-2-yl-3,4-difluorobenzenesulfonamide (PubChem CID 8603569) has the molecular formula C17H10F2N2O2S2 and a molecular weight of 376.41 g/mol. Its IUPAC name is N-benzo[e][1,3]benzothiazol-2-yl-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-benzo[e][1,3]benzothiazol-2-yl-3,4-difluorobenzenesulfonamide
PubChem CID8603569
Molecular FormulaC17H10F2N2O2S2
Molecular Weight376.41 g/mol
Exact Mass376.02
IUPAC NameN-benzo[e][1,3]benzothiazol-2-yl-3,4-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1nc2c(ccc3ccccc32)s1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H10F2N2O2S2/c18-13-7-6-11(9-14(13)19)25(22,23)21-17-20-16-12-4-2-1-3-10(12)5-8-15(16)24-17/h1-9H,(H,20,21)
InChIKeyFADWEUNGKCAZKH-UHFFFAOYSA-N
XLogP4.53
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetyl-N-benzo[e][1,3]benzothiazol-2-ylbenzenesulfonamide
CID 8603572
3-[4-(benzo[e][1,3]benzothiazol-2-ylsulfamoyl)phenyl]propanoate
CID 9237115
1-acetyl-N-benzo[e][1,3]benzothiazol-2-yl-2,3-dihydroindole-5-sulfonamide
CID 24509991
N-benzo[e][1,3]benzothiazol-2-yl-2,5-difluorobenzamide
CID 27185560
N-benzo[g][1,3]benzothiazol-2-yl-4-chlorobenzenesulfonamide
CID 16934053
3,4-difluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 22201612
N-benzo[e][1,3]benzothiazol-2-yl-2-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121041301
N-benzo[e][1,3]benzothiazol-2-yl-2,2-dimethylpropanamide
CID 2340220
3-(benzenesulfonyl)-N-benzo[e][1,3]benzothiazol-2-ylpropanamide
CID 7202553
N-benzo[e][1,3]benzothiazol-2-yl-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 16828858
N-[6-[(3,4-difluorophenyl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide
CID 46325722
3,4-difluoro-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide
CID 22206847

Frequently Asked Questions

What is the IUPAC name of N-benzo[e][1,3]benzothiazol-2-yl-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-benzo[e][1,3]benzothiazol-2-yl-3,4-difluorobenzenesulfonamide (CID 8603569) is N-benzo[e][1,3]benzothiazol-2-yl-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-benzo[e][1,3]benzothiazol-2-yl-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-benzo[e][1,3]benzothiazol-2-yl-3,4-difluorobenzenesulfonamide is O=S(=O)(Nc1nc2c(ccc3ccccc32)s1)c1ccc(F)c(F)c1.
What is the InChIKey of N-benzo[e][1,3]benzothiazol-2-yl-3,4-difluorobenzenesulfonamide?
The InChIKey is FADWEUNGKCAZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F2N2O2S2/c18-13-7-6-11(9-14(13)19)25(22,23)21-17-20-16-12-4-2-1-3-10(12)5-8-15(16)24-17/h1-9H,(H,20,21).
What are the key properties of N-benzo[e][1,3]benzothiazol-2-yl-3,4-difluorobenzenesulfonamide?
N-benzo[e][1,3]benzothiazol-2-yl-3,4-difluorobenzenesulfonamide has a molecular weight of 376.41 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzo[e][1,3]benzothiazol-2-yl-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 8603569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).