N-(6-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzenesulfonamide

C15H13FN2O4S2 — CID 3764092

IUPACN-(6-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2nc3ccc(F)cc3s2)c1
InChIInChI=1S/C15H13FN2O4S2/c1-21-10-4-6-12(22-2)14(8-10)24(19,20)18-15-17-11-5-3-9(16)7-13(11)23-15/h3-8H,1-2H3,(H,17,18)
InChIKeySKFMCSCFFLCDHH-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.25
Rot. Bonds5

About N-(6-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzenesulfonamide

N-(6-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzenesulfonamide (PubChem CID 3764092) has the molecular formula C15H13FN2O4S2 and a molecular weight of 368.41 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzenesulfonamide
PubChem CID3764092
Molecular FormulaC15H13FN2O4S2
Molecular Weight368.41 g/mol
Exact Mass368.03
IUPAC NameN-(6-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2nc3ccc(F)cc3s2)c1
InChIInChI=1S/C15H13FN2O4S2/c1-21-10-4-6-12(22-2)14(8-10)24(19,20)18-15-17-11-5-3-9(16)7-13(11)23-15/h3-8H,1-2H3,(H,17,18)
InChIKeySKFMCSCFFLCDHH-UHFFFAOYSA-N
XLogP3.25
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 4806091
2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21004935
4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 3745144
N-(6-methoxy-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 670284
6-fluoro-N-(4-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 7086355
N-(6-fluoro-1,3-benzothiazol-2-yl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 3847622
2,5-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 25044343
4-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 16934058
N-(4-fluoro-2-iodophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79765855
5-fluoro-2-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 17018087
6-fluoro-N-(3-methylsulfonylpropyl)-1,3-benzothiazol-2-amine
CID 79143888
6-fluoro-N-[(3-methoxyphenyl)methyl]-1,3-benzothiazol-2-amine
CID 79143476

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzenesulfonamide (CID 3764092) is N-(6-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2nc3ccc(F)cc3s2)c1.
What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzenesulfonamide?
The InChIKey is SKFMCSCFFLCDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O4S2/c1-21-10-4-6-12(22-2)14(8-10)24(19,20)18-15-17-11-5-3-9(16)7-13(11)23-15/h3-8H,1-2H3,(H,17,18).
What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzenesulfonamide?
N-(6-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzenesulfonamide has a molecular weight of 368.41 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 3764092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).